Molecule

ID:96034

General Information
Structure
Molecular Formula
C₁₆H₁₁FN₂O₂
Molecular Mass
282.2691432
Exact Mass
282.08045582
Charge
0
InChI
InChI=1S/C16H11FN2O2/c17-12-7-5-11(6-8-12)16-14(9-10-19(20)21)13-3-1-2-4-15(13)18-16/h1-10,18H
InChIKey
YWDLOHOHROOWTE-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)/C=C/c1c([nH]c2c1cccc2)c1ccc(cc1)F
Isomeric Smiles
[nH]1c(c(c2ccccc12)/C=C/[N+](=O)[O-])c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
14.642153
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.9360385
LogD (pH = 7.4)
3.9360385
Log P
3.9360385
Molar Refractivity
78.3649
Polarizability
31.54069
Polar Surface Area
61.61
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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