Molecule

ID:43066

General Information
Structure
MolImage
Molecular Formula
C₈H₅ClFNO
Molecular Mass
185.5828032
Exact Mass
185.00436969
Charge
0
InChI
InChI=1S/C8H5ClFNO/c9-7-5-6(10)1-2-8(7)12-4-3-11/h1-2,5H,4H2
InChIKey
RRIVDXCDEBCNTG-UHFFFAOYSA-N
Canonic Smiles
N#CCOc1ccc(cc1Cl)F
Isomeric Smiles
c1cc(c(cc1F)Cl)OCC#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0982533
LogD (pH = 7.4)
2.0982533
Log P
2.0982533
Molar Refractivity
42.6063
Polarizability
16.209133
Polar Surface Area
33.02
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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