Molecule

ID:45317

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₆ClN
Molecular Mass
221.72584
Exact Mass
221.0971272
Charge
0
InChI
InChI=1S/C13H15N.ClH/c1-10(14-2)12-8-7-11-5-3-4-6-13(11)9-12;/h3-10,14H,1-2H3;1H
InChIKey
ALXRPPVLEBEFEF-UHFFFAOYSA-N
Canonic Smiles
CNC(c1ccc2c(c1)cccc2)C.Cl
Isomeric Smiles
c1(cc2c(cc1)cccc2)C(NC)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.2710727
LogD (pH = 7.4)
0.559427
Log P
2.9376464
Molar Refractivity
60.175
Polarizability
25.085386
Polar Surface Area
12.03
Rotatable Bonds
2
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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