Molecule

ID:40403

General Information
Structure
MolImage
Molecular Formula
C₁₄H₈F₃NO₄
Molecular Mass
311.2128296
Exact Mass
311.0405424
Charge
0
InChI
InChI=1S/C14H8F3NO4/c15-14(16,17)10-2-1-3-11(7-10)22-13-5-4-9(8-19)6-12(13)18(20)21/h1-8H
InChIKey
GUZZMRYJCXHFMK-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(c(c1)[N+](=O)[O-])Oc1cccc(c1)C(F)(F)F
Isomeric Smiles
[N+](=O)(c1c(Oc2cc(C(F)(F)F)ccc2)ccc(c1)C=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.003868
LogD (pH = 7.4)
4.003868
Log P
4.003868
Molar Refractivity
72.1812
Polarizability
25.701654
Polar Surface Area
72.12
Rotatable Bonds
5
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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