CSCC(=O)NC1C(=O)N2C(C(=O)O)=C(C(CCC(N)=O)Sc3nnn[nH]3)CS[C@H]12
SMILES: CSCC(=O)NC1C(=O)N2C(C(=O)O)=C(C(CCC(N)=O)Sc3nnn[nH]3)CS[C@H]12

Molecular Processing

Molecular formula
C15H19N7O5S3
Molecular weight
473.56
Exact mass
473.061
XLogP
-0.97
TPSA
184.26
H-bond donors
4
H-bond acceptors
10
Rotatable bonds
10
Heavy atoms
30
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
2
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
110.32

Supplementary Information

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