Molecule

ID:41009

General Information
Structure
Molecular Formula
C₈H₃Cl₃N₂S
Molecular Mass
265.54682
Exact Mass
263.90825215
Charge
0
InChI
InChI=1S/C8H3Cl3N2S/c9-4-1-2-5(6(10)3-4)7-8(11)14-13-12-7/h1-3H
InChIKey
FFLPWKPHQPUGCS-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)c1nnsc1Cl
Isomeric Smiles
c1(c(snn1)Cl)c1c(cc(cc1)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.573189
LogD (pH = 7.4)
4.5731893
Log P
4.5731893
Molar Refractivity
58.6945
Polarizability
24.0191
Polar Surface Area
25.78
Rotatable Bonds
1
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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