Molecule

ID:48810

General Information
Structure
Molecular Formula
C₁₂H₁₇ClN₂O
Molecular Mass
240.72918
Exact Mass
240.10294085
Charge
0
InChI
InChI=1S/C12H16N2O.ClH/c13-8-7-12(15)14-9-3-5-10-4-1-2-6-11(10)14;/h1-2,4,6H,3,5,7-9,13H2;1H
InChIKey
XVEQDVFNCBOBGW-UHFFFAOYSA-N
Canonic Smiles
NCCC(=O)N1CCCc2c1cccc2.Cl
Isomeric Smiles
N1(C(=O)CCN)c2c(CCC1)cccc2.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.06161
LogD (pH = 7.4)
-0.8385889
Log P
0.8723623
Molar Refractivity
60.0066
Polarizability
23.370888
Polar Surface Area
46.33
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
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Molecule Details
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References
Bioactivity
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