Molecule

ID:34110

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇ClN₂O
Molecular Mass
240.72918
Exact Mass
240.10294085
Charge
0
InChI
InChI=1S/C12H16N2O.ClH/c13-9-10-3-5-11(6-4-10)12(15)14-7-1-2-8-14;/h3-6H,1-2,7-9,13H2;1H
InChIKey
KUYJGBQTWLCWAM-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(cc1)C(=O)N1CCCC1.Cl
Isomeric Smiles
c1(ccc(cc1)C(=O)N1CCCC1)CN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.172025
LogD (pH = 7.4)
-1.1407062
Log P
0.8028042
Molar Refractivity
60.9442
Polarizability
23.160055
Polar Surface Area
46.33
Rotatable Bonds
2
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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