Molecule

ID:134823

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀FN
Molecular Mass
223.2450032
Exact Mass
223.07972755
Charge
0
InChI
InChI=1S/C15H10FN/c16-15-8-6-13(7-9-15)14(11-17)10-12-4-2-1-3-5-12/h1-10H
InChIKey
AWMKCXLADSGTQN-UHFFFAOYSA-N
Canonic Smiles
N#C/C(=C\c1ccccc1)/c1ccc(cc1)F
Isomeric Smiles
c1ccc(cc1)/C=C(\C#N)/c1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.1714916
LogD (pH = 7.4)
4.1714916
Log P
4.1714916
Molar Refractivity
66.7077
Polarizability
24.837852
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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