6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-1-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine;6-methylquinolin-2-amine;7-methylquinolin-2-amine
C170H174N46O6 — CID 158102110
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-1-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine;6-methylquinolin-2-amine;7-methylquinolin-2-amine
SMILESCc1ccc(-c2n[nH]c(=O)[nH]2)cc1.Cc1ccc2c(N)cncc2c1.Cc1ccc2c(N)nc(N)cc2c1.Cc1ccc2c(N)nccc2c1.Cc1ccc2c(N)ncnc2c1.Cc1ccc2c(N)nnc(N)c2c1.Cc1ccc2c(N)nncc2c1.Cc1ccc2c(c1)C(N)=NOC2.Cc1ccc2c(c1)CON=C2N.Cc1ccc2cc(N)nc(N)c2c1.Cc1ccc2ccc(N)nc2c1.Cc1ccc2ccnc(N)c2c1.Cc1ccc2cncc(N)c2c1.Cc1ccc2cnnc(N)c2c1.Cc1ccc2nc(N)ccc2c1.Cc1ccc2ncnc(N)c2c1.Cc1cccc(-c2noc(=O)[nH]2)c1.Cc1ccccc1-c1n[nH]c(=O)[nH]1
InChIInChI=1S/2C10H11N3.6C10H10N2.C9H10N4.2C9H9N3O.4C9H9N3.C9H8N2O2.2C9H10N2O/c1-6-2-3-8-7(4-6)5-9(11)13-10(8)12;1-6-2-3-7-5-9(11)13-10(12)8(7)4-6;1-7-2-4-9-8(6-7)3-5-10(11)12-9;1-7-2-3-9-8(4-7)5-12-6-10(9)11;1-7-2-3-8-5-12-6-10(11)9(8)4-7;1-7-2-3-9-8(6-7)4-5-12-10(9)11;1-7-2-3-8-4-5-12-10(11)9(8)6-7;1-7-2-3-8-4-5-10(11)12-9(8)6-7;1-5-2-3-6-7(4-5)9(11)13-12-8(6)10;1-6-2-4-7(5-3-6)8-10-9(13)12-11-8;1-6-4-2-3-5-7(6)8-10-9(13)12-11-8;1-6-2-3-8-7(4-6)9(10)12-5-11-8;1-6-2-3-8-7(4-6)5-11-12-9(8)10;1-6-2-3-7-8(4-6)11-5-12-9(7)10;1-6-2-3-7-5-11-12-9(10)8(7)4-6;1-6-3-2-4-7(5-6)8-10-9(12)13-11-8;1-6-2-3-8-7(4-6)5-12-11-9(8)10;1-6-2-3-7-5-12-11-9(10)8(7)4-6/h2*2-5H,1H3,(H4,11,12,13);2-6H,1H3,(H2,11,12);2*2-6H,11H2,1H3;3*2-6H,1H3,(H2,11,12);2-4H,1H3,(H2,10,12)(H2,11,13);2*2-5H,1H3,(H2,10,11,12,13);2-5H,1H3,(H2,10,11,12);2-5H,1H3,(H2,10,12);2-5H,1H3,(H2,10,11,12);2-5H,1H3,(H2,10,12);2-5H,1H3,(H,10,11,12);2*2-4H,5H2,1H3,(H2,10,11)
InChIKeyFPJUWUYXXINPDE-UHFFFAOYSA-N
MW2957.58 g/mol
LogP29.13
Rot. Bonds3
About 6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-1-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine;6-methylquinolin-2-amine;7-methylquinolin-2-amine
6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-1-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine;6-methylquinolin-2-amine;7-methylquinolin-2-amine (PubChem CID 158102110) has the molecular formula C170H174N46O6 and a molecular weight of 2957.58 g/mol. Its IUPAC name is 6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-1-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine;6-methylquinolin-2-amine;7-methylquinolin-2-amine.
Molecular Properties
| Compound Name | 6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-1-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine;6-methylquinolin-2-amine;7-methylquinolin-2-amine |
|---|---|
| PubChem CID | 158102110 |
| Molecular Formula | C170H174N46O6 |
| Molecular Weight | 2957.58 g/mol |
| Exact Mass | 2955.47 |
| IUPAC Name | 6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-1-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine;6-methylquinolin-2-amine;7-methylquinolin-2-amine |
| SMILES | Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1.Cc1ccc2c(N)cncc2c1.Cc1ccc2c(N)nc(N)cc2c1.Cc1ccc2c(N)nccc2c1.Cc1ccc2c(N)ncnc2c1.Cc1ccc2c(N)nnc(N)c2c1.Cc1ccc2c(N)nncc2c1.Cc1ccc2c(c1)C(N)=NOC2.Cc1ccc2c(c1)CON=C2N.Cc1ccc2cc(N)nc(N)c2c1.Cc1ccc2ccc(N)nc2c1.Cc1ccc2ccnc(N)c2c1.Cc1ccc2cncc(N)c2c1.Cc1ccc2cnnc(N)c2c1.Cc1ccc2nc(N)ccc2c1.Cc1ccc2ncnc(N)c2c1.Cc1cccc(-c2noc(=O)[nH]2)c1.Cc1ccccc1-c1n[nH]c(=O)[nH]1 |
| InChI | InChI=1S/2C10H11N3.6C10H10N2.C9H10N4.2C9H9N3O.4C9H9N3.C9H8N2O2.2C9H10N2O/c1-6-2-3-8-7(4-6)5-9(11)13-10(8)12;1-6-2-3-7-5-9(11)13-10(12)8(7)4-6;1-7-2-4-9-8(6-7)3-5-10(11)12-9;1-7-2-3-9-8(4-7)5-12-6-10(9)11;1-7-2-3-8-5-12-6-10(11)9(8)4-7;1-7-2-3-9-8(6-7)4-5-12-10(9)11;1-7-2-3-8-4-5-12-10(11)9(8)6-7;1-7-2-3-8-4-5-10(11)12-9(8)6-7;1-5-2-3-6-7(4-5)9(11)13-12-8(6)10;1-6-2-4-7(5-3-6)8-10-9(13)12-11-8;1-6-4-2-3-5-7(6)8-10-9(13)12-11-8;1-6-2-3-8-7(4-6)9(10)12-5-11-8;1-6-2-3-8-7(4-6)5-11-12-9(8)10;1-6-2-3-7-8(4-6)11-5-12-9(7)10;1-6-2-3-7-5-11-12-9(10)8(7)4-6;1-6-3-2-4-7(5-6)8-10-9(12)13-11-8;1-6-2-3-8-7(4-6)5-12-11-9(8)10;1-6-2-3-7-5-12-11-9(10)8(7)4-6/h2*2-5H,1H3,(H4,11,12,13);2-6H,1H3,(H2,11,12);2*2-6H,11H2,1H3;3*2-6H,1H3,(H2,11,12);2-4H,1H3,(H2,10,12)(H2,11,13);2*2-5H,1H3,(H2,10,11,12,13);2-5H,1H3,(H2,10,11,12);2-5H,1H3,(H2,10,12);2-5H,1H3,(H2,10,11,12);2-5H,1H3,(H2,10,12);2-5H,1H3,(H,10,11,12);2*2-4H,5H2,1H3,(H2,10,11) |
| InChIKey | FPJUWUYXXINPDE-UHFFFAOYSA-N |
| XLogP | 29.13 |
| TPSA | 925.53 Ų |
| H-Bond Donors | 23 |
| H-Bond Acceptors | 47 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 222 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2957.58 |
| LogP ≤ 5 | 29.13 |
| H-Bond Donors ≤ 5 | 23 |
| H-Bond Acceptors ≤ 10 | 47 |
Frequently Asked Questions
What is the IUPAC name of 6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-1-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine;6-methylquinolin-2-amine;7-methylquinolin-2-amine?
The IUPAC name of 6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-1-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine;6-methylquinolin-2-amine;7-methylquinolin-2-amine (CID 158102110) is 6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-1-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine;6-methylquinolin-2-amine;7-methylquinolin-2-amine.
What is the SMILES notation for 6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-1-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine;6-methylquinolin-2-amine;7-methylquinolin-2-amine?
The canonical SMILES for 6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-1-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine;6-methylquinolin-2-amine;7-methylquinolin-2-amine is Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1.Cc1ccc2c(N)cncc2c1.Cc1ccc2c(N)nc(N)cc2c1.Cc1ccc2c(N)nccc2c1.Cc1ccc2c(N)ncnc2c1.Cc1ccc2c(N)nnc(N)c2c1.Cc1ccc2c(N)nncc2c1.Cc1ccc2c(c1)C(N)=NOC2.Cc1ccc2c(c1)CON=C2N.Cc1ccc2cc(N)nc(N)c2c1.Cc1ccc2ccc(N)nc2c1.Cc1ccc2ccnc(N)c2c1.Cc1ccc2cncc(N)c2c1.Cc1ccc2cnnc(N)c2c1.Cc1ccc2nc(N)ccc2c1.Cc1ccc2ncnc(N)c2c1.Cc1cccc(-c2noc(=O)[nH]2)c1.Cc1ccccc1-c1n[nH]c(=O)[nH]1.
What is the InChIKey of 6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-1-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine;6-methylquinolin-2-amine;7-methylquinolin-2-amine?
The InChIKey is FPJUWUYXXINPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H11N3.6C10H10N2.C9H10N4.2C9H9N3O.4C9H9N3.C9H8N2O2.2C9H10N2O/c1-6-2-3-8-7(4-6)5-9(11)13-10(8)12;1-6-2-3-7-5-9(11)13-10(12)8(7)4-6;1-7-2-4-9-8(6-7)3-5-10(11)12-9;1-7-2-3-9-8(4-7)5-12-6-10(9)11;1-7-2-3-8-5-12-6-10(11)9(8)4-7;1-7-2-3-9-8(6-7)4-5-12-10(9)11;1-7-2-3-8-4-5-12-10(11)9(8)6-7;1-7-2-3-8-4-5-10(11)12-9(8)6-7;1-5-2-3-6-7(4-5)9(11)13-12-8(6)10;1-6-2-4-7(5-3-6)8-10-9(13)12-11-8;1-6-4-2-3-5-7(6)8-10-9(13)12-11-8;1-6-2-3-8-7(4-6)9(10)12-5-11-8;1-6-2-3-8-7(4-6)5-11-12-9(8)10;1-6-2-3-7-8(4-6)11-5-12-9(7)10;1-6-2-3-7-5-11-12-9(10)8(7)4-6;1-6-3-2-4-7(5-6)8-10-9(12)13-11-8;1-6-2-3-8-7(4-6)5-12-11-9(8)10;1-6-2-3-7-5-12-11-9(10)8(7)4-6/h2*2-5H,1H3,(H4,11,12,13);2-6H,1H3,(H2,11,12);2*2-6H,11H2,1H3;3*2-6H,1H3,(H2,11,12);2-4H,1H3,(H2,10,12)(H2,11,13);2*2-5H,1H3,(H2,10,11,12,13);2-5H,1H3,(H2,10,11,12);2-5H,1H3,(H2,10,12);2-5H,1H3,(H2,10,11,12);2-5H,1H3,(H2,10,12);2-5H,1H3,(H,10,11,12);2*2-4H,5H2,1H3,(H2,10,11).
What are the key properties of 6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-1-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine;6-methylquinolin-2-amine;7-methylquinolin-2-amine?
6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-1-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine;6-methylquinolin-2-amine;7-methylquinolin-2-amine has a molecular weight of 2957.58 g/mol, XLogP of 29.13, 3 rotatable bonds, 23 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-1-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine;6-methylquinolin-2-amine;7-methylquinolin-2-amine is sourced from PubChem (CID 158102110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158102110 — identifiers, structure, computed properties (public domain)
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