Molecule

ID:61640

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClFNO₂
Molecular Mass
189.5715032
Exact Mass
188.99928431
Charge
0
InChI
InChI=1S/C7H5ClFNO2/c8-4-5-1-2-6(10(11)12)3-7(5)9/h1-3H,4H2
InChIKey
HIDSJCQJOQDPEO-UHFFFAOYSA-N
Canonic Smiles
ClCc1ccc(cc1F)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1cc(c(cc1)CCl)F)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.643174
LogD (pH = 7.4)
2.643174
Log P
2.643174
Molar Refractivity
43.466
Polarizability
15.722206
Polar Surface Area
45.82
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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