CID 74539607

C17H14NO3 — CID 74539607

IUPAC—
SMILESCc1cccc(-c2cc(COC(=O)[C]3[CH][CH][CH][CH]3)on2)c1
InChIInChI=1S/C17H14NO3/c1-12-5-4-8-14(9-12)16-10-15(21-18-16)11-20-17(19)13-6-2-3-7-13/h2-10H,11H2,1H3
InChIKeyHHIJDTKSQNRNTO-UHFFFAOYSA-N
MW280.30 g/mol
LogP3.10
Rot. Bonds4

About CID 74539607

CID 74539607 (PubChem CID 74539607) has the molecular formula C17H14NO3 and a molecular weight of 280.30 g/mol.

Molecular Properties

Compound NameCID 74539607
PubChem CID74539607
Molecular FormulaC17H14NO3
Molecular Weight280.30 g/mol
Exact Mass280.10
IUPAC Name—
SMILESCc1cccc(-c2cc(COC(=O)[C]3[CH][CH][CH][CH]3)on2)c1
InChIInChI=1S/C17H14NO3/c1-12-5-4-8-14(9-12)16-10-15(21-18-16)11-20-17(19)13-6-2-3-7-13/h2-10H,11H2,1H3
InChIKeyHHIJDTKSQNRNTO-UHFFFAOYSA-N
XLogP3.10
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze CID 74539607 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 74539607?
The IUPAC name of CID 74539607 (CID 74539607) is not available.
What is the SMILES notation for CID 74539607?
The canonical SMILES for CID 74539607 is Cc1cccc(-c2cc(COC(=O)[C]3[CH][CH][CH][CH]3)on2)c1.
What is the InChIKey of CID 74539607?
The InChIKey is HHIJDTKSQNRNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14NO3/c1-12-5-4-8-14(9-12)16-10-15(21-18-16)11-20-17(19)13-6-2-3-7-13/h2-10H,11H2,1H3.
What are the key properties of CID 74539607?
CID 74539607 has a molecular weight of 280.30 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 74539607 is sourced from PubChem (CID 74539607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).