Molecule

ID:100621

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClFNO
Molecular Mass
173.5721032
Exact Mass
173.00436969
Charge
0
InChI
InChI=1S/C7H5ClFNO/c8-7(10-11)5-1-3-6(9)4-2-5/h1-4,11H
InChIKey
VDMJCVUEUHKGOY-UHFFFAOYSA-N
Canonic Smiles
O/N=C(/c1ccc(cc1)F)\Cl
Isomeric Smiles
Fc1ccc(cc1)/C(=N/O)/Cl
Calculated Properties
JChem
Acid pKa
6.450381
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.2703993
LogD (pH = 7.4)
1.3364576
Log P
2.3163402
Molar Refractivity
41.2108
Polarizability
15.19245
Polar Surface Area
32.59
Rotatable Bonds
1
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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