Molecule

ID:53149

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅ClN₂O
Molecular Mass
226.7026
Exact Mass
226.08729079
Charge
0
InChI
InChI=1S/C11H15ClN2O/c1-8-9(5-6-12)11(15)14-7-3-2-4-10(14)13-8/h2-7H2,1H3
InChIKey
CMWCQQUYLPYOMY-UHFFFAOYSA-N
Canonic Smiles
ClCCc1c(C)nc2n(c1=O)CCCC2
Isomeric Smiles
C1CCn2c(C1)nc(c(c2=O)CCCl)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3462616
LogD (pH = 7.4)
1.3462688
Log P
1.3462689
Molar Refractivity
61.4996
Polarizability
23.071484
Polar Surface Area
32.67
Rotatable Bonds
2
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
References
Bioactivity
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