Molecule

ID:81191

General Information
Structure
MolImage
Molecular Formula
C₈H₅Cl₂N
Molecular Mass
186.038
Exact Mass
184.97990453
Charge
0
InChI
InChI=1S/C8H5Cl2N/c9-8(10)7-3-1-6(5-11)2-4-7/h1-4,8H
InChIKey
NMXMVMJWZDVFMH-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(cc1)C(Cl)Cl
Isomeric Smiles
N#Cc1ccc(cc1)C(Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0852845
LogD (pH = 7.4)
3.0852845
Log P
3.0852845
Molar Refractivity
46.7006
Polarizability
17.676163
Polar Surface Area
23.79
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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