Molecule

ID:66258

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁ClN₂OS
Molecular Mass
230.71444
Exact Mass
230.02806166
Charge
0
InChI
InChI=1S/C9H11ClN2OS/c10-8-7(6-13)14-9(11-8)12-4-2-1-3-5-12/h6H,1-5H2
InChIKey
PIHYBGQGFSRXQU-UHFFFAOYSA-N
Canonic Smiles
O=Cc1sc(nc1Cl)N1CCCCC1
Isomeric Smiles
s1c(nc(c1C=O)Cl)N1CCCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.943862
LogD (pH = 7.4)
2.9438622
Log P
2.9438622
Molar Refractivity
59.5445
Polarizability
21.681118
Polar Surface Area
33.2
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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