US9242973, RP11a

C16H19BrN2O3 — CID 90056187

IUPAC—
SMILESCCCC1Oc2ccc(Br)cc2C2(COC(N)=N2)C12COC2
InChIInChI=1S/C16H19BrN2O3/c1-2-3-13-15(7-20-8-15)16(9-21-14(18)19-16)11-6-10(17)4-5-12(11)22-13/h4-6,13H,2-3,7-9H2,1H3,(H2,18,19)
InChIKeyPCABGJMPWSJFMR-UHFFFAOYSA-N
MW367.24 g/mol
LogP2.57
Rot. Bonds2

About US9242973, RP11a

US9242973, RP11a (PubChem CID 90056187) has the molecular formula C16H19BrN2O3 and a molecular weight of 367.24 g/mol.

Molecular Properties

Compound NameUS9242973, RP11a
PubChem CID90056187
Molecular FormulaC16H19BrN2O3
Molecular Weight367.24 g/mol
Exact Mass366.06
IUPAC Name—
SMILESCCCC1Oc2ccc(Br)cc2C2(COC(N)=N2)C12COC2
InChIInChI=1S/C16H19BrN2O3/c1-2-3-13-15(7-20-8-15)16(9-21-14(18)19-16)11-6-10(17)4-5-12(11)22-13/h4-6,13H,2-3,7-9H2,1H3,(H2,18,19)
InChIKeyPCABGJMPWSJFMR-UHFFFAOYSA-N
XLogP2.57
TPSA66.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.24
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of US9242973, RP11a?
The IUPAC name of US9242973, RP11a (CID 90056187) is not available.
What is the SMILES notation for US9242973, RP11a?
The canonical SMILES for US9242973, RP11a is CCCC1Oc2ccc(Br)cc2C2(COC(N)=N2)C12COC2.
What is the InChIKey of US9242973, RP11a?
The InChIKey is PCABGJMPWSJFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O3/c1-2-3-13-15(7-20-8-15)16(9-21-14(18)19-16)11-6-10(17)4-5-12(11)22-13/h4-6,13H,2-3,7-9H2,1H3,(H2,18,19).
What are the key properties of US9242973, RP11a?
US9242973, RP11a has a molecular weight of 367.24 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for US9242973, RP11a is sourced from PubChem (CID 90056187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).