Molecule

ID:27398

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀Cl₂N₂OS
Molecular Mass
265.1595
Exact Mass
263.98908931
Charge
0
InChI
InChI=1S/C9H10Cl2N2OS/c10-7-2-1-3-8(11)6(7)4-15-5-9(14)13-12/h1-3H,4-5,12H2,(H,13,14)
InChIKey
OTWIZTQMOXZJHK-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)CSCc1c(Cl)cccc1Cl
Isomeric Smiles
c1(c(Cl)cccc1Cl)CSCC(=O)NN
Calculated Properties
JChem
Acid pKa
11.1720085
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.1131563
LogD (pH = 7.4)
2.1154969
Log P
2.115595
Molar Refractivity
65.7016
Polarizability
25.355164
Polar Surface Area
55.12
Rotatable Bonds
4
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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