Molecule

ID:43482

General Information
Structure
MolImage
Molecular Formula
C₇H₃F₂NO₃
Molecular Mass
187.1004264
Exact Mass
187.0080994
Charge
0
InChI
InChI=1S/C7H3F2NO3/c8-5-2-7(10(12)13)6(9)1-4(5)3-11/h1-3H
InChIKey
QMQRAEOCSNLDEY-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(F)c(cc1F)[N+](=O)[O-]
Isomeric Smiles
c1([N+](=O)[O-])cc(c(cc1F)C=O)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.9111363
LogD (pH = 7.4)
1.9111363
Log P
1.9111363
Molar Refractivity
40.3995
Polarizability
13.847403
Polar Surface Area
62.89
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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