Molecule

ID:37148

General Information
Structure
MolImage
Molecular Formula
C₆H₇ClN₂
Molecular Mass
142.58618
Exact Mass
142.02977591
Charge
0
InChI
InChI=1S/C6H7ClN2/c7-6-2-1-5(3-8)4-9-6/h1-2,4H,3,8H2
InChIKey
XPARFBOWIYMLMY-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(nc1)Cl
Isomeric Smiles
n1c(Cl)ccc(c1)CN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.227972
LogD (pH = 7.4)
-1.0033908
Log P
0.70556366
Molar Refractivity
38.2406
Polarizability
14.723129
Polar Surface Area
38.91
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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