Molecule

ID:19305

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O₂S
Molecular Mass
226.29536
Exact Mass
226.0775987
Charge
0
InChI
InChI=1S/C10H14N2O2S/c1-14-9-8(7-13)15-10(11-9)12-5-3-2-4-6-12/h7H,2-6H2,1H3
InChIKey
KRQQTULNLBSOFU-UHFFFAOYSA-N
Canonic Smiles
COc1nc(sc1C=O)N1CCCCC1
Isomeric Smiles
n1c(sc(c1OC)C=O)N1CCCCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.5564265
LogD (pH = 7.4)
2.5564265
Log P
2.5564265
Molar Refractivity
60.4551
Polarizability
22.211327
Polar Surface Area
42.43
Rotatable Bonds
3
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
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References
Bioactivity
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