Molecule

ID:54835

General Information
Structure
Molecular Formula
C₆H₉ClN₂O
Molecular Mass
160.60146
Exact Mass
160.0403406
Charge
0
InChI
InChI=1S/C6H9ClN2O/c1-2-3-5-8-9-6(4-7)10-5/h2-4H2,1H3
InChIKey
WNHVLRSXJZLWNT-UHFFFAOYSA-N
Canonic Smiles
CCCc1nnc(o1)CCl
Isomeric Smiles
o1c(nnc1CCC)CCl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.8832633
LogD (pH = 7.4)
0.88326335
Log P
0.88326335
Molar Refractivity
39.8461
Polarizability
14.6499815
Polar Surface Area
38.92
Rotatable Bonds
3
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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