SMILES:
CN(C)CCN1C(=O)CSc2cc([N+](=O)[O-])ccc21Molecular Processing
Molecular formula
C12H15N3O3S
Molecular weight
281.34
Exact mass
281.0834
XLogP
1.6
TPSA
66.69
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
74.73
Supplementary Information
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