Molecule

ID:84378

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄Cl₂N₂S₂
Molecular Mass
321.28896
Exact Mass
319.99754582
Charge
0
InChI
InChI=1S/C12H14Cl2N2S2/c13-10-6-9(7-11(14)15-10)8-18-12(17)16-4-2-1-3-5-16/h6-7H,1-5,8H2
InChIKey
OOLMOMAMQDGFLP-UHFFFAOYSA-N
Canonic Smiles
S=C(N1CCCCC1)SCc1cc(Cl)nc(c1)Cl
Isomeric Smiles
n1c(cc(cc1Cl)CSC(=S)N1CCCCC1)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.5826864
LogD (pH = 7.4)
4.5826864
Log P
4.5826864
Molar Refractivity
86.5486
Polarizability
33.122093
Polar Surface Area
16.13
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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