Molecule

ID:61296

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉NO₂
Molecular Mass
187.19466
Exact Mass
187.06332853
Charge
0
InChI
InChI=1S/C11H9NO2/c13-10-6-7-11(14)12(10)8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKey
MKRBAPNEJMFMHU-UHFFFAOYSA-N
Canonic Smiles
O=C1C=CC(=O)N1Cc1ccccc1
Isomeric Smiles
N1(C(=O)C=CC1=O)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3122462
LogD (pH = 7.4)
1.3122462
Log P
1.3122462
Molar Refractivity
52.8607
Polarizability
19.84358
Polar Surface Area
37.38
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