O=C(O)CCC(=O)c1ccc2c(c1)NC(=O)CS2
名称: 4-(3,4-Dihydro-3-oxo-1,4[2H]-benzothiazin-6-yl)-4-oxobutyric acid
SMILES: O=C(O)CCC(=O)c1ccc2c(c1)NC(=O)CS2

Molecular Processing

Molecular formula
C12H11NO4S
Molecular weight
265.29
Exact mass
265.0409
XLogP
1.78
TPSA
83.47
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
67

Supplementary Information

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