Molecule

ID:13748

General Information
Structure
MolImage
Molecular Formula
C₆H₇ClN₂
Molecular Mass
142.58618
Exact Mass
142.02977591
Charge
0
InChI
InChI=1S/C6H7ClN2/c1-2-5-3-8-6(7)9-4-5/h3-4H,2H2,1H3
InChIKey
BGLLZQRUXJGTAD-UHFFFAOYSA-N
Canonic Smiles
CCc1cnc(nc1)Cl
Isomeric Smiles
c1(cnc(nc1)Cl)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9162757
LogD (pH = 7.4)
1.9162759
Log P
1.9162759
Molar Refractivity
37.8631
Polarizability
14.155273
Polar Surface Area
25.78
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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