Molecule

ID:24960

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇ClN₂O₂
Molecular Mass
256.72858
Exact Mass
256.09785547
Charge
0
InChI
InChI=1S/C12H16N2O2.ClH/c1-16-11-5-4-10(13)7-9(11)8-14-6-2-3-12(14)15;/h4-5,7H,2-3,6,8,13H2,1H3;1H
InChIKey
CSHKOQFEJVGPEC-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1CN1CCCC1=O)N.Cl
Isomeric Smiles
N1(C(=O)CCC1)Cc1c(ccc(c1)N)OC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.28595558
LogD (pH = 7.4)
0.38059053
Log P
0.38194266
Molar Refractivity
62.9308
Polarizability
23.672258
Polar Surface Area
55.56
Rotatable Bonds
3
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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