Molecule

ID:10308

General Information
Structure
MolImage
Molecular Formula
C₆H₇Cl₂N
Molecular Mass
164.03248
Exact Mass
162.99555459
Charge
0
InChI
InChI=1S/C6H6ClN.ClH/c1-5-4-8-3-2-6(5)7;/h2-4H,1H3;1H
InChIKey
WPIUSHWGBZMBHZ-UHFFFAOYSA-N
Canonic Smiles
Cc1cnccc1Cl.Cl
Isomeric Smiles
c1cncc(c1Cl)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.8368165
LogD (pH = 7.4)
1.8725594
Log P
1.8730395
Molar Refractivity
33.7471
Polarizability
13.063685
Polar Surface Area
12.89
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
References
Bioactivity
Navigation