SMILES:
CN1C2CCC1CC(NC(=O)c1cc([N+](=O)[O-])c(Sc3c(Cl)cncc3Cl)s1)C2Molecular Processing
Molecular formula
C18H18Cl2N4O3S2
Molecular weight
473.41
Exact mass
472.0197
XLogP
4.86
TPSA
88.37
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
114.41
Supplementary Information
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