Nombre: 3-Trifluoracetyl-7-cyano-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILES:
N#Cc1ccc2c(c1)CCN(C(=O)C(F)(F)F)CC2Molecular Processing
Molecular formula
C13H11F3N2O
Molecular weight
268.24
Exact mass
268.0823
XLogP
2.05
TPSA
44.1
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
61.2
Supplementary Information
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