Molecule

ID:84159

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₂ClN
Molecular Mass
253.72618
Exact Mass
253.06582707
Charge
0
InChI
InChI=1S/C16H12ClN/c1-11-5-4-7-12(9-11)14-10-13-6-2-3-8-15(13)18-16(14)17/h2-10H,1H3
InChIKey
VKAABFUMTLRWEO-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)c1cc2ccccc2nc1Cl
Isomeric Smiles
n1c(c(cc2ccccc12)c1cc(ccc1)C)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.1157665
LogD (pH = 7.4)
5.115769
Log P
5.115769
Molar Refractivity
76.0228
Polarizability
31.749935
Polar Surface Area
12.89
Rotatable Bonds
1
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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