Molecule

ID:112197

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈ClN
Molecular Mass
247.76312
Exact Mass
247.11277726
Charge
0
InChI
InChI=1S/C15H18N.ClH/c1-16(2,15-11-7-4-8-12-15)13-14-9-5-3-6-10-14;/h3-12H,13H2,1-2H3;1H/q+1;/p-1
InChIKey
QLRKASHXFNIPLZ-UHFFFAOYSA-M
Canonic Smiles
C[N+](c1ccccc1)(Cc1ccccc1)C.[Cl-]
Isomeric Smiles
[Cl-].C[N+](C)(Cc1ccccc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
18.710716
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-0.24257684
LogD (pH = 7.4)
-0.24257684
Log P
-0.24257684
Molar Refractivity
80.2919
Polarizability
26.970781
Polar Surface Area
0.0
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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