Molecule

ID:67227

General Information
Structure
MolImage
Molecular Formula
C₅H₃ClFNO
Molecular Mass
147.5348232
Exact Mass
146.98871962
Charge
0
InChI
InChI=1S/C5H3ClFNO/c6-5-4(7)1-3(9)2-8-5/h1-2,9H
InChIKey
VEHUGRIKMHCJLQ-UHFFFAOYSA-N
Canonic Smiles
Oc1cnc(c(c1)F)Cl
Isomeric Smiles
c1(c(cc(cn1)O)F)Cl
Calculated Properties
JChem
Acid pKa
7.4968505
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4146676
LogD (pH = 7.4)
1.1706121
Log P
1.4189318
Molar Refractivity
31.9645
Polarizability
11.851096
Polar Surface Area
33.12
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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