Molecule
ID:99636
General Information
Molecular Formula
C₇H₅ClFNO
Molecular Mass
173.5721032
Exact Mass
173.00436969
Charge
0
InChI
InChI=1S/C7H5ClFNO/c8-6-2-1-5(4-10-11)3-7(6)9/h1-4,11H
InChIKey
OMBFOEPKXLLRRV-UHFFFAOYSA-N
Canonic Smiles
O/N=C/c1ccc(c(c1)F)Cl
Isomeric Smiles
N(=C\c1cc(c(cc1)Cl)F)/O
Calculated Properties
JChem
Acid pKa
7.3993053
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.436547
LogD (pH = 7.4)
2.1424217
Log P
2.4419746
Molar Refractivity
41.4849
Polarizability
15.243692
Polar Surface Area
32.59
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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