Molecule

ID:92541

General Information
Structure
Molecular Formula
C₁₁H₇NO₂
Molecular Mass
185.17878
Exact Mass
185.04767847
Charge
0
InChI
InChI=1S/C11H7NO2/c13-8-12-10-5-3-9(4-6-10)11-2-1-7-14-11/h1-7H
InChIKey
VSHIYROPEPGJND-UHFFFAOYSA-N
Canonic Smiles
O=C=Nc1ccc(cc1)c1ccco1
Isomeric Smiles
o1cccc1c1ccc(cc1)N=C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5902734
LogD (pH = 7.4)
2.5902734
Log P
2.5902734
Molar Refractivity
52.6571
Polarizability
20.451162
Polar Surface Area
42.57
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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