Molecule

ID:90602

General Information
Structure
MolImage
Molecular Formula
C₄H₈Cl₂N₂S
Molecular Mass
187.09072
Exact Mass
185.97852463
Charge
0
InChI
InChI=1S/C4H6N2S.2ClH/c5-3-4-6-1-2-7-4;;/h1-2H,3,5H2;2*1H
InChIKey
SXOAJLQMTFZXKM-UHFFFAOYSA-N
Canonic Smiles
NCc1nccs1.Cl.Cl
Isomeric Smiles
s1c(ncc1)CN.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.4361372
LogD (pH = 7.4)
-0.7471439
Log P
-0.16902651
Molar Refractivity
29.0668
Polarizability
11.48352
Polar Surface Area
38.91
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
Molecule Details
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References
Bioactivity
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