Molecule

ID:98484

General Information
Structure
Molecular Formula
C₁₄H₇F₆NO₃
Molecular Mass
351.2006992
Exact Mass
351.03301241
Charge
0
InChI
InChI=1S/C14H7F6NO3/c15-13(16,17)8-5-9(14(18,19)20)7-12(6-8)24-11-3-1-10(2-4-11)21(22)23/h1-7H
InChIKey
JMONHDKBMOQVKS-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(cc1)Oc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Isomeric Smiles
O(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccc(cc1)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.1692142
LogD (pH = 7.4)
5.1692142
Log P
5.1692142
Molar Refractivity
71.5709
Polarizability
25.277584
Polar Surface Area
55.05
Rotatable Bonds
5
Lipinski's Rule of Five
false
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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