Molecule

ID:68069

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₁ClN₂
Molecular Mass
312.83644
Exact Mass
312.13932636
Charge
0
InChI
InChI=1S/C19H20N2.ClH/c20-16-19(18-9-5-2-6-10-18)11-13-21(14-12-19)15-17-7-3-1-4-8-17;/h1-10H,11-15H2;1H
InChIKey
SPXFNRMZPRHYRH-UHFFFAOYSA-N
Canonic Smiles
N#CC1(CCN(CC1)Cc1ccccc1)c1ccccc1.Cl
Isomeric Smiles
N1(CCC(CC1)(c1ccccc1)C#N)Cc1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.9977287
LogD (pH = 7.4)
2.7681108
Log P
3.7355204
Molar Refractivity
86.5579
Polarizability
33.512478
Polar Surface Area
27.03
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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