Molecule

ID:23555

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈ClN
Molecular Mass
247.76312
Exact Mass
247.11277726
Charge
0
InChI
InChI=1S/C15H17N.ClH/c1-13-7-5-6-10-15(13)12-16-11-14-8-3-2-4-9-14;/h2-10,16H,11-12H2,1H3;1H
InChIKey
UMRVOANAOWUUHO-UHFFFAOYSA-N
Canonic Smiles
Cc1ccccc1CNCc1ccccc1.Cl
Isomeric Smiles
c1(c(C)cccc1)CNCc1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.66261965
LogD (pH = 7.4)
1.9977262
Log P
3.769489
Molar Refractivity
68.9598
Polarizability
27.006443
Polar Surface Area
12.03
Rotatable Bonds
4
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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