Molecule

ID:55061

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉Cl₂N₃O₂S
Molecular Mass
316.24776
Exact Mass
315.05750322
Charge
0
InChI
InChI=1S/C10H17N3O2S.2ClH/c1-13(2)16(14,15)8-7-11-9-10-5-3-4-6-12-10;;/h3-6,11H,7-9H2,1-2H3;2*1H
InChIKey
CZLHGOVLRYVQEX-UHFFFAOYSA-N
Canonic Smiles
CN(S(=O)(=O)CCNCc1ccccn1)C.Cl.Cl
Isomeric Smiles
n1ccccc1CNCCS(=O)(=O)N(C)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.3425958
LogD (pH = 7.4)
-0.8989529
Log P
-0.711839
Molar Refractivity
62.642
Polarizability
25.486004
Polar Surface Area
62.3
Rotatable Bonds
5
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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