Molecule

ID:96311

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂ClF
Molecular Mass
246.7071832
Exact Mass
246.06115628
Charge
0
InChI
InChI=1S/C15H12ClF/c1-11-5-7-12(8-6-11)9-10-13-14(16)3-2-4-15(13)17/h2-10H,1H3
InChIKey
AKBITDYLEKWRTF-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)/C=C/c1c(F)cccc1Cl
Isomeric Smiles
Clc1c(c(ccc1)F)/C=C/c1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.573255
LogD (pH = 7.4)
5.573255
Log P
5.573255
Molar Refractivity
71.5752
Polarizability
26.794538
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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