Molecule

ID:82963

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₁ClN₂
Molecular Mass
312.83644
Exact Mass
312.13932636
Charge
0
InChI
InChI=1S/C19H21N2.ClH/c1-2-19-15-20(13-17-9-5-3-6-10-17)16-21(19)14-18-11-7-4-8-12-18;/h3-12,15-16H,2,13-14H2,1H3;1H/q+1;/p-1
InChIKey
BLOBLRJDFARKPF-UHFFFAOYSA-M
Canonic Smiles
CCc1c[n+](cn1Cc1ccccc1)Cc1ccccc1.[Cl-]
Isomeric Smiles
[n+]1(cn(Cc2ccccc2)c(c1)CC)Cc1ccccc1.[Cl-]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
0.7011535
LogD (pH = 7.4)
0.7011535
Log P
0.7011535
Molar Refractivity
87.7516
Polarizability
33.762844
Polar Surface Area
8.81
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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