Molecule

ID:17367

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂O₃S
Molecular Mass
270.34792
Exact Mass
270.10381345
Charge
0
InChI
InChI=1S/C12H18N2O3S/c1-17-12-6-5-10(9-11(12)13)18(15,16)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8,13H2,1H3
InChIKey
CDLUSPMUARXZBB-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1N)S(=O)(=O)N1CCCCC1
Isomeric Smiles
c1(S(=O)(=O)N2CCCCC2)cc(c(cc1)OC)N
Calculated Properties
JChem
Acid pKa
19.96068
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.8900081
LogD (pH = 7.4)
0.8903927
Log P
0.8903976
Molar Refractivity
71.3149
Polarizability
27.768713
Polar Surface Area
72.63
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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