Molecule

ID:92606

General Information
Structure
MolImage
Molecular Formula
C₉H₅NO₂
Molecular Mass
159.1415
Exact Mass
159.03202841
Charge
0
InChI
InChI=1S/C9H5NO2/c11-6-10-8-1-2-9-7(5-8)3-4-12-9/h1-5H
InChIKey
NXBDATRNNMSVRF-UHFFFAOYSA-N
Canonic Smiles
O=C=Nc1ccc2c(c1)cco2
Isomeric Smiles
o1ccc2c1ccc(c2)N=C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.041925
LogD (pH = 7.4)
2.041925
Log P
2.041925
Molar Refractivity
43.9711
Polarizability
17.008661
Polar Surface Area
42.57
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