Molecule
ID:27563
General Information
Molecular Formula
C₁₀H₉NO₂
Molecular Mass
175.18396
Exact Mass
175.06332853
Charge
0
InChI
InChI=1S/C10H9NO2/c1-2-6-3-4-8-7(5-6)9(12)10(13)11-8/h3-5H,2H2,1H3,(H,11,12,13)
InChIKey
XDGNFZUIJHZHHP-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc2c(c1)C(=O)C(=O)N2
Isomeric Smiles
C1(=O)Nc2c(C1=O)cc(cc2)CC
Calculated Properties
JChem
Acid pKa
9.027035
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.559411
LogD (pH = 7.4)
2.5499125
Log P
2.5595336
Molar Refractivity
50.1172
Polarizability
18.137531
Polar Surface Area
46.17
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...