Name: N-methyl-8-Iodo-1-ethyl-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILES:
CCC1CN(C)CCc2ccc(I)cc21Molecular Processing
Molecular formula
C13H18IN
Molecular weight
315.2
Exact mass
315.0484
XLogP
3.27
TPSA
3.24
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
73.39
Supplementary Information
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