COC(=O)NCCC[C@@H](C)NS(=O)(=O)c1ccccc1
SMILES: COC(=O)NCCC[C@@H](C)NS(=O)(=O)c1ccccc1

Molecular Processing

Molecular formula
C13H20N2O4S
Molecular weight
300.38
Exact mass
300.1144
XLogP
1.49
TPSA
84.5
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
20
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
75.87

Supplementary Information

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