Molecule
ID:75302
General Information
Molecular Formula
C₉H₈N₂O
Molecular Mass
160.17262
Exact Mass
160.06366289
Charge
0
InChI
InChI=1S/C9H8N2O/c1-6-2-3-7-8(4-6)10-5-9(12)11-7/h2-5H,1H3,(H,11,12)
InChIKey
ZWGSKZGAUDHBPL-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)ncc(n2)O
Isomeric Smiles
n1c(cnc2cc(ccc12)C)O
Calculated Properties
JChem
Acid pKa
11.931912
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.1032965
LogD (pH = 7.4)
2.103378
Log P
2.103392
Molar Refractivity
44.786
Polarizability
18.436762
Polar Surface Area
46.01
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
No Data Available
Click here to submit data
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...