C=CCOC(=O)C1(Cc2ccc([N+](=O)[O-])c(F)c2)CSCC(NC(=O)OC(C)(C)C)C1=O
SMILES: C=CCOC(=O)C1(Cc2ccc([N+](=O)[O-])c(F)c2)CSCC(NC(=O)OC(C)(C)C)C1=O

Molecular Processing

Molecular formula
C21H25FN2O7S
Molecular weight
468.5
Exact mass
468.1367
XLogP
3.2
TPSA
124.84
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
32
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.476
Molar refractivity
115.84

Supplementary Information

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