Molecule

ID:92527

General Information
Structure
MolImage
Molecular Formula
C₆H₉ClN₂
Molecular Mass
144.60206
Exact Mass
144.04542598
Charge
0
InChI
InChI=1S/C6H9ClN2/c1-5-3-6(4-7)8-9(5)2/h3H,4H2,1-2H3
InChIKey
BXDLNPSUWNWPNY-UHFFFAOYSA-N
Canonic Smiles
ClCc1nn(c(c1)C)C
Isomeric Smiles
n1c(cc(n1C)C)CCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.2692605
LogD (pH = 7.4)
1.2693796
Log P
1.2693812
Molar Refractivity
49.4558
Polarizability
14.342764
Polar Surface Area
17.82
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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