Molecule

ID:33690

General Information
Structure
MolImage
Molecular Formula
C₆H₉ClN₂
Molecular Mass
144.60206
Exact Mass
144.04542598
Charge
0
InChI
InChI=1S/C6H9ClN2/c1-3-9-4-6(7)5(2)8-9/h4H,3H2,1-2H3
InChIKey
LFWSZFJZUSEWEB-UHFFFAOYSA-N
Canonic Smiles
CCn1cc(c(n1)C)Cl
Isomeric Smiles
n1c(c(cn1CC)Cl)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.4931561
LogD (pH = 7.4)
1.4933265
Log P
1.4933287
Molar Refractivity
49.1063
Polarizability
14.421113
Polar Surface Area
17.82
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
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References
Bioactivity
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