SMILES:
CCOC(=O)N1CCCC(Sc2ccc([N+](=O)[O-])c(NC)c2Cl)CC1Molecular Processing
Molecular formula
C16H22ClN3O4S
Molecular weight
387.89
Exact mass
387.102
XLogP
4.39
TPSA
84.71
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
25
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
99.74
Supplementary Information
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