Molecule

ID:27564

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₂
Molecular Mass
175.18396
Exact Mass
175.06332853
Charge
0
InChI
InChI=1S/C10H9NO2/c1-2-6-4-3-5-7-8(6)11-10(13)9(7)12/h3-5H,2H2,1H3,(H,11,12,13)
InChIKey
YMZGAPGIOFRUFU-UHFFFAOYSA-N
Canonic Smiles
CCc1cccc2c1NC(=O)C2=O
Isomeric Smiles
N1C(=O)C(=O)c2c1c(ccc2)CC
Calculated Properties
JChem
Acid pKa
8.9467325
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.559386
LogD (pH = 7.4)
2.547987
Log P
2.5595336
Molar Refractivity
50.1172
Polarizability
18.138474
Polar Surface Area
46.17
Rotatable Bonds
1
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