Molecule

ID:19018

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄ClN
Molecular Mass
219.70996
Exact Mass
219.08147713
Charge
0
InChI
InChI=1S/C13H13N.ClH/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14;/h2-9H,14H2,1H3;1H
InChIKey
RKWDKVFONMCALV-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)c1ccccc1N.Cl
Isomeric Smiles
c1(c2ccc(cc2)C)c(N)cccc1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.28661
LogD (pH = 7.4)
3.3047307
Log P
3.3049667
Molar Refractivity
60.9358
Polarizability
24.358006
Polar Surface Area
26.02
Rotatable Bonds
1
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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