O=C1CC(c2cccc(Cl)c2)C2(C(=O)Nc3cc(Cl)ccc32)C(c2cc(I)ccc2[N+](=O)[O-])N1
SMILES: O=C1CC(c2cccc(Cl)c2)C2(C(=O)Nc3cc(Cl)ccc32)C(c2cc(I)ccc2[N+](=O)[O-])N1

Molecular Processing

Molecular formula
C24H16Cl2IN3O4
Molecular weight
608.22
Exact mass
606.9563
XLogP
5.74
TPSA
101.34
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
34
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
137.27

Supplementary Information

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