SMILES:
COC(=O)C(Cc1ccc([N+](=O)[O-])cc1)NC(=O)C1(CCCCSC)CCCC1Molecular Processing
Molecular formula
C21H30N2O5S
Molecular weight
422.55
Exact mass
422.1875
XLogP
3.89
TPSA
98.54
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
11
Heavy atoms
29
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.619
Molar refractivity
113.88
Supplementary Information
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