Molecule

ID:33694

General Information
Structure
MolImage
Molecular Formula
C₆H₉ClN₂
Molecular Mass
144.60206
Exact Mass
144.04542598
Charge
0
InChI
InChI=1S/C6H9ClN2/c1-4-6(7)5(2)9(3)8-4/h1-3H3
InChIKey
RQQJQZNUFCUHKG-UHFFFAOYSA-N
Canonic Smiles
Cc1nn(c(c1Cl)C)C
Isomeric Smiles
n1n(c(c(c1C)Cl)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.3354926
LogD (pH = 7.4)
1.3360746
Log P
1.3360821
Molar Refractivity
49.5074
Polarizability
14.344115
Polar Surface Area
17.82
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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