Molecule

ID:59955

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₁N₃O₃S
Molecular Mass
263.35704
Exact Mass
263.13036255
Charge
0
InChI
InChI=1S/C10H21N3O3S/c1-10(2,3)16-9(15)12-7(5-6-17-4)8(14)13-11/h7H,5-6,11H2,1-4H3,(H,12,15)(H,13,14)/t7-/m0/s1
InChIKey
NMZANECBVWWSFH-ZETCQYMHSA-N
Canonic Smiles
CSCC[C@@H](C(=O)NN)NC(=O)OC(C)(C)C
Isomeric Smiles
C(=O)(N[C@H](C(=O)NN)CCSC)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
12.660214
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
0.46046185
LogD (pH = 7.4)
0.4613822
Log P
0.46139616
Molar Refractivity
68.7653
Polarizability
26.8013
Polar Surface Area
93.45
Rotatable Bonds
7
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
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References
Bioactivity
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