Molecule

ID:10958

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₃
Molecular Mass
191.18336
Exact Mass
191.05824315
Charge
0
InChI
InChI=1S/C10H9NO3/c12-9(13)5-8-6-3-1-2-4-7(6)10(14)11-8/h1-4,8H,5H2,(H,11,14)(H,12,13)
InChIKey
ARVSJYVMPQBCTL-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC1NC(=O)c2c1cccc2
Isomeric Smiles
C1(=O)NC(c2c1cccc2)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.868739
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.0622915
LogD (pH = 7.4)
-2.6559107
Log P
0.5735526
Molar Refractivity
49.0419
Polarizability
18.517302
Polar Surface Area
66.4
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