Molecule

ID:28214

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀F₃NO₅
Molecular Mass
341.2388096
Exact Mass
341.05110709
Charge
0
InChI
InChI=1S/C15H10F3NO5/c1-23-14-6-9(8-20)2-4-13(14)24-12-5-3-10(15(16,17)18)7-11(12)19(21)22/h2-8H,1H3
InChIKey
OSAFDLLORPBBMX-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(c(c1)OC)Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F
Isomeric Smiles
c1([N+](=O)[O-])c(Oc2c(cc(C=O)cc2)OC)ccc(C(F)(F)F)c1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.8461967
LogD (pH = 7.4)
3.8461967
Log P
3.8461967
Molar Refractivity
78.6444
Polarizability
28.267212
Polar Surface Area
81.35
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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