이름: N-trifluoroacetyl-7-allyloxy-8-iodo-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILES:
C=CCOc1cc2c(cc1I)C(C)CN(C(=O)C(F)(F)F)CC2Molecular Processing
Molecular formula
C16H17F3INO2
Molecular weight
439.22
Exact mass
439.0256
XLogP
3.91
TPSA
29.54
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
89.61
Supplementary Information
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