CCN(CC)C(=O)c1ccccc1Cn1cncc1I
Name: N,N-diethyl-2-(5-iodo-imidazol-1-ylmethyl)-benzamide
SMILES: CCN(CC)C(=O)c1ccccc1Cn1cncc1I

Molecular Processing

Molecular formula
C15H18IN3O
Molecular weight
383.23
Exact mass
383.0495
XLogP
3.02
TPSA
38.13
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
87.74

Supplementary Information

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