Molecule

ID:57149

General Information
Structure
MolImage
Molecular Formula
C₉H₆Cl₂O
Molecular Mass
201.04934
Exact Mass
199.97957017
Charge
0
InChI
InChI=1S/C9H6Cl2O/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6H/b6-5+
InChIKey
ZAUFNZFFWDQKPL-AATRIKPKSA-N
Canonic Smiles
ClC(=O)/C=C/c1ccccc1Cl
Isomeric Smiles
C(=C\C(=O)Cl)/c1c(cccc1)Cl
Calculated Properties
JChem
Polar Surface Area
17.07
Rotatable Bonds
2
Lipinski's Rule of Five
true
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2734606
LogD (pH = 7.4)
3.2734606
Log P
3.2734606
Molar Refractivity
51.7232
Polarizability
19.503504
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
References
Bioactivity
Navigation