Molecule
ID:76717
General Information
Molecular Formula
C₁₂H₁₀Cl₂N₂O₂S₂
Molecular Mass
349.256
Exact Mass
347.95607493
Charge
0
InChI
InChI=1S/C12H10Cl2N2O2S2/c1-2-18-11(17)9-10(15)16(12(19)20-9)6-3-4-7(13)8(14)5-6/h3-5H,2,15H2,1H3
InChIKey
XIQXCLCXXOGZEX-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1sc(=S)n(c1N)c1ccc(c(c1)Cl)Cl
Isomeric Smiles
n1(c2cc(c(cc2)Cl)Cl)c(c(C(=O)OCC)sc1=S)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.284769
LogD (pH = 7.4)
4.2847705
Log P
4.2847705
Molar Refractivity
96.8719
Polarizability
33.809483
Polar Surface Area
55.56
Rotatable Bonds
4
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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