Molecule

ID:76276

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆Cl₂N₂S
Molecular Mass
267.21844
Exact Mass
266.04112488
Charge
0
InChI
InChI=1S/C10H14N2S.2ClH/c1-2-6-12-10(3-1)13-9-4-7-11-8-5-9;;/h1-3,6,9,11H,4-5,7-8H2;2*1H
InChIKey
PITBBBFCFBTZBN-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)Sc1ccccn1.Cl.Cl
Isomeric Smiles
n1ccccc1SC1CCNCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.8045329
LogD (pH = 7.4)
-1.0569817
Log P
1.4144503
Molar Refractivity
57.2283
Polarizability
22.504879
Polar Surface Area
24.92
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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