이름: N-methyl-8-Trifluoromethyl-1-ethyl-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILES:
CCC1CN(C)CCc2ccc(C(F)(F)F)cc21Molecular Processing
Molecular formula
C14H18F3N
Molecular weight
257.3
Exact mass
257.1391
XLogP
3.69
TPSA
3.24
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
18
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
0.571
Molar refractivity
65.68
Supplementary Information
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