Molecule

ID:14245

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉ClN₂
Molecular Mass
226.74566
Exact Mass
226.1236763
Charge
0
InChI
InChI=1S/C12H18N2.ClH/c13-11-5-7-12(8-6-11)14-9-3-1-2-4-10-14;/h5-8H,1-4,9-10,13H2;1H
InChIKey
OSRAHLUZNPXHKN-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)N1CCCCCC1.Cl
Isomeric Smiles
C1CCCN(CC1)c1ccc(cc1)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.44115075
LogD (pH = 7.4)
2.099407
Log P
2.5472984
Molar Refractivity
61.93
Polarizability
22.949396
Polar Surface Area
29.26
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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