Molecule

ID:132927

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂ClN
Molecular Mass
229.70478
Exact Mass
229.06582707
Charge
0
InChI
InChI=1S/C14H11N.ClH/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13;/h2-9H,1H3;1H
InChIKey
PKDHDJBNEKXCBI-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(n1)C#Cc1ccccc1.Cl
Isomeric Smiles
Cc1cccc(n1)C#Cc1ccccc1.Cl
Calculated Properties
JChem
LogD (pH = 7.4)
3.39
LogD (pH = 5.5)
3.39
Log P
3.39
Rotatable Bonds
2
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
3.76
Polar Surface Area
12.89
Polarizability
22.75
Molar Refractivity
55.96
LOG S
-3.23
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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