SMILES:
COC1CN(c2ccc(I)c(Cc3ccccc3)n2)CC1ClMolecular Processing
Molecular formula
C17H18ClIN2O
Molecular weight
428.7
Exact mass
428.0152
XLogP
3.72
TPSA
25.36
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.353
Molar refractivity
98.85
Supplementary Information
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