Molecule

ID:106010

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄N₂O₇S
Molecular Mass
376.42526
Exact Mass
376.13042212
Charge
0
InChI
InChI=1S/C15H24N2O7S/c1-6(2)10(19)15(11(20)7(3)12(21)17-15)14(24)25-5-9(13(22)23)16-8(4)18/h6-7,9-11,19-20H,5H2,1-4H3,(H,16,18)(H,17,21)(H,22,23)
InChIKey
DAQAKHDKYAWHCG-UHFFFAOYSA-N
Canonic Smiles
CC(=O)NC(C(=O)O)CSC(=O)C1(NC(=O)C(C1O)C)C(C(C)C)O
Isomeric Smiles
CC(C)C(O)C1(NC(=O)C(C)C1O)C(=O)SCC(NC(=O)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.6403015
H Acceptors
7
H Donor
5
LogD (pH = 5.5)
-3.0795863
LogD (pH = 7.4)
-4.552016
Log P
-1.2231128
Molar Refractivity
88.0327
Polarizability
35.217537
Polar Surface Area
153.03
Rotatable Bonds
8
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
References
Bioactivity
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