CC1CN(CCC2=C1C=C(C=C2)C(F)(F)F)C
名称: 3,5-dimethyl-7-(trifluoromethyl)-1,2,4,5-tetrahydro-3-benzazepine
SMILES: CC1CN(CCC2=C1C=C(C=C2)C(F)(F)F)C

Molecular Processing

Molecular formula
C13H16F3N
Molecular weight
243.27
Exact mass
243.1235
XLogP
3.3
TPSA
3.24
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
61.06

Supplementary Information

InChIKey: WSJJBMMNSMJGHN-UHFFFAOYSA-N
同義語
N-methyl-8-Trifluoromethyl-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepineSCHEMBL2200079N-methyl-8-Trifluoromethyl-1methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
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