Molecule

ID:118067

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁NO₂
Molecular Mass
201.22124
Exact Mass
201.0789786
Charge
0
InChI
InChI=1S/C12H11NO2/c1-13-8-10(7-11(13)12(14)15)9-5-3-2-4-6-9/h2-8H,1H3,(H,14,15)
InChIKey
ZCTZBXTZTAQFRU-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(cn1C)c1ccccc1
Isomeric Smiles
c1(n(cc(c1)c1ccccc1)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.393084
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.40742943
LogD (pH = 7.4)
-0.90303797
Log P
2.5016153
Molar Refractivity
57.9834
Polarizability
23.082893
Polar Surface Area
42.23
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
暂无数据
点击上传数据
References
Bioactivity
Navigation