10H-phenoxazine-1,8-dicarboxylic acid

C14H9NO5 — CID 125480198

IUPAC10H-phenoxazine-1,8-dicarboxylic acid
SMILESO=C(O)c1ccc2c(c1)Nc1c(cccc1C(=O)O)O2
InChIInChI=1S/C14H9NO5/c16-13(17)7-4-5-10-9(6-7)15-12-8(14(18)19)2-1-3-11(12)20-10/h1-6,15H,(H,16,17)(H,18,19)
InChIKeyLDVQZCFRYJLZPV-UHFFFAOYSA-N
MW271.23 g/mol
LogP2.93
Rot. Bonds2

About 10H-phenoxazine-1,8-dicarboxylic acid

10H-phenoxazine-1,8-dicarboxylic acid (PubChem CID 125480198) has the molecular formula C14H9NO5 and a molecular weight of 271.23 g/mol. Its IUPAC name is 10H-phenoxazine-1,8-dicarboxylic acid.

Molecular Properties

Compound Name10H-phenoxazine-1,8-dicarboxylic acid
PubChem CID125480198
Molecular FormulaC14H9NO5
Molecular Weight271.23 g/mol
Exact Mass271.05
IUPAC Name10H-phenoxazine-1,8-dicarboxylic acid
SMILESO=C(O)c1ccc2c(c1)Nc1c(cccc1C(=O)O)O2
InChIInChI=1S/C14H9NO5/c16-13(17)7-4-5-10-9(6-7)15-12-8(14(18)19)2-1-3-11(12)20-10/h1-6,15H,(H,16,17)(H,18,19)
InChIKeyLDVQZCFRYJLZPV-UHFFFAOYSA-N
XLogP2.93
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

7,8-dichloro-10H-phenoxazine-1-carboxylic acid
CID 59917041
8-[(3,4-dichlorophenyl)methyl]-10H-phenoxazine-1-carboxylic acid
CID 10221728
8-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-10H-phenoxazine-1-carboxylic acid
CID 10203191
9-chloro-10H-phenoxazine-1-carboxylic acid
CID 151951306
7-[(3,4-dichlorophenyl)methyl]-10H-phenoxazine-1-carboxylic acid
CID 10110654
8-[2-(3,4-dimethylphenyl)ethyl]-10H-phenoxazine-1,3-dicarboxylic acid
CID 141031846
2-amino-3-hydroxy-10H-phenoxazine-1,9-dicarboxylic acid
CID 5487975
7-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]-10H-phenoxazine-1-carboxylic acid
CID 10223854
7,8-dihydroxy-10H-phenoxazine-1,3-dicarboxylic acid
CID 141032051
2-methyl-3-oxo-4H-1,4-benzoxazine-5-carboxylic acid
CID 82275003
spiro[1H-2-benzofuran-3,9'-xanthene]-5-carboxylic acid
CID 151870020
2-amino-2,3-dihydro-1,3-benzoxazole-5-carboxylic acid
CID 142117161

Frequently Asked Questions

What is the IUPAC name of 10H-phenoxazine-1,8-dicarboxylic acid?
The IUPAC name of 10H-phenoxazine-1,8-dicarboxylic acid (CID 125480198) is 10H-phenoxazine-1,8-dicarboxylic acid.
What is the SMILES notation for 10H-phenoxazine-1,8-dicarboxylic acid?
The canonical SMILES for 10H-phenoxazine-1,8-dicarboxylic acid is O=C(O)c1ccc2c(c1)Nc1c(cccc1C(=O)O)O2.
What is the InChIKey of 10H-phenoxazine-1,8-dicarboxylic acid?
The InChIKey is LDVQZCFRYJLZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO5/c16-13(17)7-4-5-10-9(6-7)15-12-8(14(18)19)2-1-3-11(12)20-10/h1-6,15H,(H,16,17)(H,18,19).
What are the key properties of 10H-phenoxazine-1,8-dicarboxylic acid?
10H-phenoxazine-1,8-dicarboxylic acid has a molecular weight of 271.23 g/mol, XLogP of 2.93, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10H-phenoxazine-1,8-dicarboxylic acid is sourced from PubChem (CID 125480198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).