Molecule

ID:90125

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅NO₃S
Molecular Mass
229.296
Exact Mass
229.07726435
Charge
0
InChI
InChI=1S/C10H15NO3S/c1-8(2)7-3-4-9(8)6-15(12,13)11-10(9,5-7)14-11/h7H,3-6H2,1-2H3/t7?,9-,10-,11?/m0/s1
InChIKey
GBBJBUGPGFNISJ-UPACWWRESA-N
Canonic Smiles
O=S1(=O)C[C@@]23[C@]4(N1O4)CC(C3(C)C)CC2
Isomeric Smiles
O1[C@]23N1S(=O)(=O)C[C@@]12CCC(C3)C1(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.0614272
LogD (pH = 7.4)
1.0614272
Log P
1.0614272
Molar Refractivity
53.2171
Polarizability
22.321064
Polar Surface Area
49.91
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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