Molecule

ID:40345

General Information
Structure
MolImage
Molecular Formula
C₁₉H₇F₈NO₆S
Molecular Mass
529.3142056
Exact Mass
528.98663371
Charge
0
InChI
InChI=1S/C19H7F8NO6S/c20-13-14(21)16(23)18(17(24)15(13)22)34-35(31,32)10-4-2-9(3-5-10)33-12-6-1-8(19(25,26)27)7-11(12)28(29)30/h1-7H
InChIKey
ZFSKHGHDIYRJMZ-UHFFFAOYSA-N
Canonic Smiles
Fc1c(F)c(OS(=O)(=O)c2ccc(cc2)Oc2ccc(cc2[N+](=O)[O-])C(F)(F)F)c(c(c1F)F)F
Isomeric Smiles
c1(ccc(cc1)Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F)S(=O)(=O)Oc1c(c(c(c(c1F)F)F)F)F
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
6.221701
LogD (pH = 7.4)
6.221701
Log P
6.221701
Molar Refractivity
101.5616
Polarizability
37.592167
Polar Surface Area
98.42
Rotatable Bonds
7
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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