Molecule

ID:53263

General Information
Structure
Molecular Formula
C₉H₂ClF₅N₂S₂
Molecular Mass
332.700596
Exact Mass
331.92680885
Charge
0
InChI
InChI=1S/C9H2ClF5N2S2/c10-8-16-9(19-17-8)18-1-2-3(11)5(13)7(15)6(14)4(2)12/h1H2
InChIKey
BJXVHQQJKLIQAS-UHFFFAOYSA-N
Canonic Smiles
Clc1nsc(n1)SCc1c(F)c(F)c(c(c1F)F)F
Isomeric Smiles
c1(nc(ns1)Cl)SCc1c(c(c(c(c1F)F)F)F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.888267
LogD (pH = 7.4)
4.888267
Log P
4.888267
Molar Refractivity
64.5543
Polarizability
23.045141
Polar Surface Area
25.78
Rotatable Bonds
3
Lipinski's Rule of Five
true
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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