SMILES:
CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(I)cc1Molecular Processing
Molecular formula
C18H23IN2O
Molecular weight
410.3
Exact mass
410.0855
XLogP
4.53
TPSA
32.67
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
22
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
97.87
Supplementary Information
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