Molecule

ID:122796

General Information
Structure
MolImage
Molecular Formula
C₆H₇ClN₂
Molecular Mass
142.58618
Exact Mass
142.02977591
Charge
0
InChI
InChI=1S/C6H7ClN2/c7-5-1-3-6(9-8)4-2-5/h1-4,9H,8H2
InChIKey
XXNOGQJZAOXWAQ-UHFFFAOYSA-N
Canonic Smiles
NNc1ccc(cc1)Cl
Isomeric Smiles
N(c1ccc(Cl)cc1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.7683083
LogD (pH = 7.4)
1.9657333
Log P
1.9689331
Molar Refractivity
40.5695
Polarizability
14.744404
Polar Surface Area
38.05
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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