Molecule

ID:114923

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₂
Molecular Mass
175.18396
Exact Mass
175.06332853
Charge
0
InChI
InChI=1S/C10H9NO2/c1-11-8-5-3-2-4-7(8)9(12)6-10(11)13/h2-5H,6H2,1H3
InChIKey
CLYBXZIOLFPNSX-UHFFFAOYSA-N
Canonic Smiles
O=C1CC(=O)c2c(N1C)cccc2
Isomeric Smiles
N1(C(=O)CC(=O)c2c1cccc2)C
Calculated Properties
JChem
Acid pKa
7.5722523
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.7445845
LogD (pH = 7.4)
0.5250467
Log P
0.7482439
Molar Refractivity
48.1401
Polarizability
18.218916
Polar Surface Area
37.38
Rotatable Bonds
0
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