Molecule

ID:89082

General Information
Structure
Molecular Formula
C₁₇H₁₉ClN₂
Molecular Mass
286.79916
Exact Mass
286.1236763
Charge
0
InChI
InChI=1S/C17H19ClN2/c18-16-8-6-15(7-9-16)17(14-4-2-1-3-5-14)20-12-10-19-11-13-20/h1-9,17,19H,10-13H2
InChIKey
UZKBSZSTDQSMDR-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)C(c1ccccc1)N1CCNCC1
Isomeric Smiles
N1(CCNCC1)C(c1ccccc1)c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.6354506
LogD (pH = 7.4)
1.9547936
Log P
3.766999
Molar Refractivity
84.4437
Polarizability
33.33446
Polar Surface Area
15.27
Rotatable Bonds
3
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
No Data Available
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Molecule Details
References
Bioactivity
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