Molecule

ID:27698

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂O₂S₂
Molecular Mass
256.34448
Exact Mass
256.03401963
Charge
0
InChI
InChI=1S/C10H12N2O2S2/c1-2-7-12-16(13,14)10-5-3-9(4-6-10)11-8-15/h3-6,12H,2,7H2,1H3
InChIKey
OXYHGHJZDGXDPM-UHFFFAOYSA-N
Canonic Smiles
CCCNS(=O)(=O)c1ccc(cc1)N=C=S
Isomeric Smiles
S(=O)(=O)(c1ccc(N=C=S)cc1)NCCC
Calculated Properties
JChem
Acid pKa
10.04737
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.7040968
LogD (pH = 7.4)
2.7032428
Log P
2.7041082
Molar Refractivity
69.4481
Polarizability
26.822506
Polar Surface Area
58.53
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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