Molecule

ID:31802

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O₃S
Molecular Mass
256.32134
Exact Mass
256.08816338
Charge
0
InChI
InChI=1S/C11H16N2O3S/c1-16-11-8-9(12)4-5-10(11)13-6-2-3-7-17(13,14)15/h4-5,8H,2-3,6-7,12H2,1H3
InChIKey
CMKKKPNZLMHNBV-UHFFFAOYSA-N
Canonic Smiles
COc1cc(N)ccc1N1CCCCS1(=O)=O
Isomeric Smiles
S1(=O)(=O)N(c2c(cc(cc2)N)OC)CCCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.12961805
LogD (pH = 7.4)
0.14129952
Log P
0.14145052
Molar Refractivity
66.4663
Polarizability
25.965893
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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