Molecule

ID:113955

General Information
Structure
MolImage
Molecular Formula
C₈H₃Cl₂NO₃
Molecular Mass
232.02032
Exact Mass
230.94899832
Charge
0
InChI
InChI=1S/C8H3Cl2NO3/c9-3-1-4-6(5(10)2-3)11-8(13)14-7(4)12/h1-2H,(H,11,13)
InChIKey
VOCGTJXVKKCXJH-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)c2c(c1)c(=O)oc(=O)[nH]2
Isomeric Smiles
c12c(=O)oc(=O)[nH]c1c(cc(c2)Cl)Cl
Calculated Properties
JChem
Acid pKa
9.007443
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.6840694
LogD (pH = 7.4)
2.674138
Log P
2.6841974
Molar Refractivity
51.4359
Polarizability
19.221128
Polar Surface Area
55.4
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