Molecule

ID:52097

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅NO₄S
Molecular Mass
245.2954
Exact Mass
245.07217897
Charge
0
InChI
InChI=1S/C10H15NO4S/c1-3-14-9(12)6-5-8(11-7-16)10(13)15-4-2/h8H,3-6H2,1-2H3/t8-/m0/s1
InChIKey
BEIMBFWLTYKYLU-QMMMGPOBSA-N
Canonic Smiles
CCOC(=O)CC[C@@H](C(=O)OCC)N=C=S
Isomeric Smiles
C(=O)(OCC)[C@H](CCC(=O)OCC)N=C=S
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.7686509
LogD (pH = 7.4)
1.7686509
Log P
1.7686509
Molar Refractivity
61.7334
Polarizability
24.603859
Polar Surface Area
64.96
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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