Molecule

ID:55238

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅ClN₂O
Molecular Mass
238.7133
Exact Mass
238.08729079
Charge
0
InChI
InChI=1S/C12H14N2O.ClH/c13-9-11-1-3-12(4-2-11)10-14-5-7-15-8-6-14;/h1-4H,5-8,10H2;1H
InChIKey
QKTYMWFNRTYMFN-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(cc1)CN1CCOCC1.Cl
Isomeric Smiles
N#Cc1ccc(CN2CCOCC2)cc1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.46519086
LogD (pH = 7.4)
1.4946718
Log P
1.5522383
Molar Refractivity
59.3968
Polarizability
22.85309
Polar Surface Area
36.26
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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