Molecule

ID:101360

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇NO₂
Molecular Mass
173.16808
Exact Mass
173.04767847
Charge
0
InChI
InChI=1S/C10H7NO2/c12-7-8-3-4-9(11-6-8)10-2-1-5-13-10/h1-7H
InChIKey
RHHAYCIYWCFECO-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(nc1)c1ccco1
Isomeric Smiles
n1c(c2occc2)ccc(c1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5613713
LogD (pH = 7.4)
1.5613977
Log P
1.561398
Molar Refractivity
47.6402
Polarizability
19.15191
Polar Surface Area
43.1
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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