Molecule

ID:68596

General Information
Structure
Molecular Formula
C₇H₉Cl₂N
Molecular Mass
178.05906
Exact Mass
177.01120465
Charge
0
InChI
InChI=1S/C7H8ClN.ClH/c1-6-2-7(3-8)5-9-4-6;/h2,4-5H,3H2,1H3;1H
InChIKey
NCAHREJYXFDWGE-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(CCl)cnc1.Cl
Isomeric Smiles
c1c(cc(cn1)C)CCl.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.6626623
LogD (pH = 7.4)
1.8529687
Log P
1.8562368
Molar Refractivity
38.8092
Polarizability
14.848128
Polar Surface Area
12.89
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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