Molecule

ID:25871

General Information
Structure
Molecular Formula
C₁₅H₁₂FNO₅
Molecular Mass
305.2578832
Exact Mass
305.06995071
Charge
0
InChI
InChI=1S/C15H12FNO5/c1-21-14-5-2-10(8-18)6-11(14)9-22-15-7-12(16)3-4-13(15)17(19)20/h2-8H,9H2,1H3
InChIKey
QTKHWQMVCWMOBX-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1COc1cc(F)ccc1[N+](=O)[O-])C=O
Isomeric Smiles
[N+](=O)(c1c(cc(cc1)F)OCc1c(ccc(c1)C=O)OC)[O-]
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
3.1775649
LogD (pH = 7.4)
3.1775649
Log P
3.1775649
Molar Refractivity
77.7221
Polarizability
28.49226
Polar Surface Area
81.35
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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