Molecule

ID:40410

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀FNO₅
Molecular Mass
291.2313032
Exact Mass
291.05430065
Charge
0
InChI
InChI=1S/C14H10FNO5/c1-20-14(17)9-2-7-13(12(8-9)16(18)19)21-11-5-3-10(15)4-6-11/h2-8H,1H3
InChIKey
VOPSYKKSSYANRA-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(c(c1)[N+](=O)[O-])Oc1ccc(cc1)F
Isomeric Smiles
c1([N+](=O)[O-])cc(C(=O)OC)ccc1Oc1ccc(F)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.5596962
LogD (pH = 7.4)
3.5596962
Log P
3.5596962
Molar Refractivity
71.8652
Polarizability
26.736437
Polar Surface Area
81.35
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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