Molecule

ID:55615

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄Cl₂N₂S
Molecular Mass
277.21326
Exact Mass
276.02547482
Charge
0
InChI
InChI=1S/C11H12N2S.2ClH/c1-12-7-10-11(13-8-14-10)9-5-3-2-4-6-9;;/h2-6,8,12H,7H2,1H3;2*1H
InChIKey
BAVNCMFZJUNQTG-UHFFFAOYSA-N
Canonic Smiles
CNCc1scnc1c1ccccc1.Cl.Cl
Isomeric Smiles
c1(c(scn1)CNC)c1ccccc1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.73177963
LogD (pH = 7.4)
0.64864886
Log P
2.3559024
Molar Refractivity
59.0627
Polarizability
24.29638
Polar Surface Area
24.92
Rotatable Bonds
3
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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