Molecule

ID:58596

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇NO₂
Molecular Mass
173.16808
Exact Mass
173.04767847
Charge
0
InChI
InChI=1S/C10H7NO2/c12-7-9-6-10(11-13-9)8-4-2-1-3-5-8/h1-7H
InChIKey
SZXMDUKWIYIKKS-UHFFFAOYSA-N
Canonic Smiles
O=Cc1onc(c1)c1ccccc1
Isomeric Smiles
c1(cc(no1)c1ccccc1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0033703
LogD (pH = 7.4)
2.0033703
Log P
2.0033703
Molar Refractivity
48.7257
Polarizability
19.167974
Polar Surface Area
43.1
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation