Molecule

ID:97278

General Information
Structure
MolImage
Molecular Formula
C₁₅H₉ClFN
Molecular Mass
257.6900632
Exact Mass
257.04075519
Charge
0
InChI
InChI=1S/C15H9ClFN/c16-14-5-3-12(4-6-14)13(10-18)9-11-1-7-15(17)8-2-11/h1-9H
InChIKey
PXJDWVFBYVYGRZ-UHFFFAOYSA-N
Canonic Smiles
N#C/C(=C/c1ccc(cc1)F)/c1ccc(cc1)Cl
Isomeric Smiles
Clc1ccc(cc1)/C(=C\c1ccc(cc1)F)/C#N
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.775536
LogD (pH = 7.4)
4.775536
Log P
4.775536
Molar Refractivity
71.5125
Polarizability
26.696217
Polar Surface Area
23.79
Rotatable Bonds
2
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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