Molecule
ID:40338
General Information
Molecular Formula
C₁₄H₇F₅O₅S
Molecular Mass
382.259396
Exact Mass
381.99343542
Charge
0
InChI
InChI=1S/C14H7F5O5S/c1-23-14(20)6-4-2-3-5-7(6)25(21,22)24-13-11(18)9(16)8(15)10(17)12(13)19/h2-5H,1H3
InChIKey
DJNFRUSKGQGIHM-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccccc1S(=O)(=O)Oc1c(F)c(F)c(c(c1F)F)F
Isomeric Smiles
S(=O)(=O)(Oc1c(c(c(c(c1F)F)F)F)F)c1c(C(=O)OC)cccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.9070582
LogD (pH = 7.4)
3.9070582
Log P
3.9070582
Molar Refractivity
74.0477
Polarizability
28.327091
Polar Surface Area
69.67
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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