Molecule
ID:98199
General Information
Molecular Formula
C₇H₅ClFNO
Molecular Mass
173.5721032
Exact Mass
173.00436969
Charge
0
InChI
InChI=1S/C7H5ClFNO/c8-7(11)5-3-4(10)1-2-6(5)9/h1-3H,10H2
InChIKey
QNNYSTJVEUSVAN-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)C(=O)Cl)F
Isomeric Smiles
ClC(=O)c1c(ccc(c1)N)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4776044
LogD (pH = 7.4)
1.4779302
Log P
1.4779344
Molar Refractivity
42.0895
Polarizability
15.011198
Polar Surface Area
43.09
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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