Molecule

ID:79061

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂ClNO
Molecular Mass
257.71488
Exact Mass
257.06074169
Charge
0
InChI
InChI=1S/C15H12ClNO/c16-14-5-1-13(2-6-14)11-18-15-7-3-12(4-8-15)9-10-17/h1-8H,9,11H2
InChIKey
MZNIAPBSYKIHAU-UHFFFAOYSA-N
Canonic Smiles
N#CCc1ccc(cc1)OCc1ccc(cc1)Cl
Isomeric Smiles
N#CCc1ccc(cc1)OCc1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
14.222433
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.8397894
LogD (pH = 7.4)
3.8397894
Log P
3.8397894
Molar Refractivity
72.2255
Polarizability
27.81523
Polar Surface Area
33.02
Rotatable Bonds
4
Lipinski's Rule of Five
true
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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