名称: methyl ester
SMILES:
COC(=O)CN1CSC=C(N2C(=O)c3ccccc3C2=O)C1=OMolecular Processing
Molecular formula
C15H12N2O5S
Molecular weight
332.34
Exact mass
332.0467
XLogP
0.83
TPSA
83.99
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
23
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
81.21
Supplementary Information
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