Molecule

ID:101204

General Information
Structure
MolImage
Molecular Formula
C₈H₅NO₃
Molecular Mass
163.1302
Exact Mass
163.02694303
Charge
0
InChI
InChI=1S/C8H5NO3/c10-5-6-4-8(12-9-6)7-2-1-3-11-7/h1-5H
InChIKey
IAHMVRCTECLFMG-UHFFFAOYSA-N
Canonic Smiles
O=Cc1noc(c1)c1ccco1
Isomeric Smiles
c1(cc(no1)C=O)c1occc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3523098
LogD (pH = 7.4)
1.3523098
Log P
1.3523098
Molar Refractivity
41.1034
Polarizability
16.07301
Polar Surface Area
56.24
Rotatable Bonds
2
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