O=C(N[C@@H](Cc1ccccc1)C(=O)O)C(CS)CS
SMILES: O=C(N[C@@H](Cc1ccccc1)C(=O)O)C(CS)CS

Molecular Processing

Molecular formula
C13H17NO3S2
Molecular weight
299.42
Exact mass
299.065
XLogP
1.27
TPSA
66.4
H-bond donors
4
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
80.91

Supplementary Information

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