Molecule

ID:105275

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇Cl₂N₃O₂S
Molecular Mass
350.26398
Exact Mass
349.04185316
Charge
0
InChI
InChI=1S/C13H15N3O2S.2ClH/c17-19(18,16-8-6-14-7-9-16)13-3-1-2-11-10-15-5-4-12(11)13;;/h1-5,10,14H,6-9H2;2*1H
InChIKey
ZKQAPKKKTQCVKG-UHFFFAOYSA-N
Canonic Smiles
O=S(=O)(c1cccc2c1ccnc2)N1CCNCC1.Cl.Cl
Isomeric Smiles
Cl.Cl.O=S(=O)(N1CCNCC1)c1cccc2c1ccnc2
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.4023747
LogD (pH = 7.4)
0.06387309
Log P
0.2625047
Molar Refractivity
73.058
Polarizability
30.375748
Polar Surface Area
62.3
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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