Molecule

ID:55435

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆ClN₃O₂S
Molecular Mass
265.76024
Exact Mass
265.06517545
Charge
0
InChI
InChI=1S/C9H15N3O2S.ClH/c1-12(15(13,14)7-5-10)8-9-4-2-3-6-11-9;/h2-4,6H,5,7-8,10H2,1H3;1H
InChIKey
GVGAOXNTHBBTCS-UHFFFAOYSA-N
Canonic Smiles
NCCS(=O)(=O)N(Cc1ccccn1)C.Cl
Isomeric Smiles
S(=O)(=O)(N(Cc1ncccc1)C)CCN.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.8500164
LogD (pH = 7.4)
-2.22696
Log P
-1.1444194
Molar Refractivity
57.8674
Polarizability
23.650928
Polar Surface Area
76.29
Rotatable Bonds
4
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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