SMILES:
O=C(NCCCCCO)c1ccncc1Nc1ccc(I)cc1ClMolecular Processing
Molecular formula
C17H19ClIN3O2
Molecular weight
459.72
Exact mass
459.0211
XLogP
3.98
TPSA
74.25
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
104.96
Supplementary Information
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