Ic1ccc(N2c3ccccc3-c3ccccc3-c3ccccc32)cc1
Name: 9-(4-iodophenyl)tribenz[b,d,f]azepin
SMILES: Ic1ccc(N2c3ccccc3-c3ccccc3-c3ccccc32)cc1

Molecular Processing

Molecular formula
C24H16IN
Molecular weight
445.3
Exact mass
445.0327
XLogP
7.41
TPSA
3.24
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
26
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0
Molar refractivity
118.27

Supplementary Information

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