Molecule

ID:91690

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄ClN
Molecular Mass
219.70996
Exact Mass
219.08147713
Charge
0
InChI
InChI=1S/C13H13N.ClH/c1-10-4-2-3-5-13(10)11-6-8-12(14)9-7-11;/h2-9H,14H2,1H3;1H
InChIKey
OBZHYWKQOJFWEL-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)c1ccccc1C.Cl
Isomeric Smiles
Nc1ccc(cc1)c1ccccc1C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.27746
LogD (pH = 7.4)
3.304609
Log P
3.3049667
Molar Refractivity
60.9358
Polarizability
24.355463
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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