Molecule

ID:124996

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂Cl₂N₂S
Molecular Mass
263.18668
Exact Mass
262.00982475
Charge
0
InChI
InChI=1S/C10H10N2S.2ClH/c11-7-8-2-1-3-9(6-8)10-12-4-5-13-10;;/h1-6H,7,11H2;2*1H
InChIKey
SVXUPAISSGYXHL-UHFFFAOYSA-N
Canonic Smiles
NCc1cccc(c1)c1nccs1.Cl.Cl
Isomeric Smiles
c1(nccs1)c1cc(CN)ccc1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.1876248
LogD (pH = 7.4)
-0.1256816
Log P
1.7825773
Molar Refractivity
64.8414
Polarizability
21.751556
Polar Surface Area
38.91
Rotatable Bonds
2
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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