Molecule

ID:55607

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄Cl₂N₂S
Molecular Mass
277.21326
Exact Mass
276.02547482
Charge
0
InChI
InChI=1S/C11H12N2S.2ClH/c1-12-7-10-8-14-11(13-10)9-5-3-2-4-6-9;;/h2-6,8,12H,7H2,1H3;2*1H
InChIKey
RYIBGXVVFRKUPL-UHFFFAOYSA-N
Canonic Smiles
CNCc1csc(n1)c1ccccc1.Cl.Cl
Isomeric Smiles
n1c(scc1CNC)c1ccccc1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.35669953
LogD (pH = 7.4)
1.363104
Log P
2.2966297
Molar Refractivity
69.0938
Polarizability
23.599644
Polar Surface Area
24.92
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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