Molecule
ID:85849
General Information
Molecular Formula
C₆H₇Cl₂N
Molecular Mass
164.03248
Exact Mass
162.99555459
Charge
0
InChI
InChI=1S/C6H6ClN.ClH/c7-5-2-1-3-6(8)4-5;/h1-4H,8H2;1H
InChIKey
NMGHWHCTRGZZOP-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)Cl.Cl
Isomeric Smiles
Nc1cc(ccc1)Cl.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.744329
LogD (pH = 7.4)
1.7483135
Log P
1.7483646
Molar Refractivity
35.5632
Polarizability
13.330082
Polar Surface Area
26.02
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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