Molecule

ID:51287

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇ClN₂O₂
Molecular Mass
268.73928
Exact Mass
268.09785547
Charge
0
InChI
InChI=1S/C13H16N2O2.ClH/c16-13-15(11-5-7-14-8-6-11)12-4-2-1-3-10(12)9-17-13;/h1-4,11,14H,5-9H2;1H
InChIKey
KLZHMTYGKHMRBO-UHFFFAOYSA-N
Canonic Smiles
O=C1OCc2c(N1C1CCNCC1)cccc2.Cl
Isomeric Smiles
N1(C(=O)OCc2c1cccc2)C1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.1253016
LogD (pH = 7.4)
-1.3630075
Log P
1.0892988
Molar Refractivity
64.3715
Polarizability
25.16789
Polar Surface Area
41.57
Rotatable Bonds
1
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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