Molecule

ID:31135

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁NO₂
Molecular Mass
201.22124
Exact Mass
201.0789786
Charge
0
InChI
InChI=1S/C12H11NO2/c14-12(15)9-10-3-5-11(6-4-10)13-7-1-2-8-13/h1-8H,9H2,(H,14,15)
InChIKey
KCZGWRZYJZGMQW-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1ccc(cc1)n1cccc1
Isomeric Smiles
n1(c2ccc(CC(=O)O)cc2)cccc1
Calculated Properties
JChem
Acid pKa
4.761145
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3815582
LogD (pH = 7.4)
-0.4094254
Log P
2.1927
Molar Refractivity
67.118
Polarizability
22.498909
Polar Surface Area
42.23
Rotatable Bonds
3
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
暂无数据
点击上传数据
References
Bioactivity
Navigation