Molecule
ID:94220
General Information
Molecular Formula
C₁₄H₅F₄NO₂
Molecular Mass
295.1886128
Exact Mass
295.02564129
Charge
0
InChI
InChI=1S/C14H5F4NO2/c15-9-7-8(10(16)12(18)11(9)17)14(21)19(13(7)20)6-4-2-1-3-5-6/h1-5H
InChIKey
NIPHRIDFYCSLRP-UHFFFAOYSA-N
Canonic Smiles
O=C1N(c2ccccc2)C(=O)c2c1c(F)c(c(c2F)F)F
Isomeric Smiles
N1(c2ccccc2)C(=O)c2c(c(c(c(c2F)F)F)F)C1=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1458652
LogD (pH = 7.4)
3.1458652
Log P
3.1458652
Molar Refractivity
64.8547
Polarizability
23.190546
Polar Surface Area
37.38
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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