Molecule

ID:113978

General Information
Structure
MolImage
Molecular Formula
C₆H₇ClN₂
Molecular Mass
142.58618
Exact Mass
142.02977591
Charge
0
InChI
InChI=1S/C6H7ClN2/c1-4-5(7)2-9-3-6(4)8/h2-3H,8H2,1H3
InChIKey
LDPCAODBPZRQEK-UHFFFAOYSA-N
Canonic Smiles
Cc1c(N)cncc1Cl
Isomeric Smiles
c1(c(N)cncc1Cl)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.9812537
LogD (pH = 7.4)
1.0432475
Log P
1.0441135
Molar Refractivity
38.4475
Polarizability
14.2298155
Polar Surface Area
38.91
Rotatable Bonds
0
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
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References
Bioactivity
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