Molecule

ID:48780

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇ClN₂O
Molecular Mass
240.72918
Exact Mass
240.10294085
Charge
0
InChI
InChI=1S/C12H16N2O.ClH/c1-13-8-12(15)14-7-6-10-4-2-3-5-11(10)9-14;/h2-5,13H,6-9H2,1H3;1H
InChIKey
ZSIMKILMSPRACP-UHFFFAOYSA-N
Canonic Smiles
CNCC(=O)N1CCc2c(C1)cccc2.Cl
Isomeric Smiles
N1(C(=O)CNC)Cc2c(CC1)cccc2.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.2858007
LogD (pH = 7.4)
-0.7340928
Log P
0.68987596
Molar Refractivity
60.3158
Polarizability
23.38033
Polar Surface Area
32.34
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
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References
Bioactivity
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