Molecule

ID:33685

General Information
Structure
MolImage
Molecular Formula
C₆H₉ClN₂
Molecular Mass
144.60206
Exact Mass
144.04542598
Charge
0
InChI
InChI=1S/C6H9ClN2/c1-3-9-5(2)6(7)4-8-9/h4H,3H2,1-2H3
InChIKey
XFMRMLYGHCJLNT-UHFFFAOYSA-N
Canonic Smiles
Cc1c(Cl)cnn1CC
Isomeric Smiles
n1n(c(c(c1)Cl)C)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.5614711
LogD (pH = 7.4)
1.5615193
Log P
1.5615199
Molar Refractivity
49.6645
Polarizability
14.418667
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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