Name: 2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxylic acid prop-2-ynyl amide
SMILES:
C#CCNC(=O)c1ccc2c(c1)CCNCC2Molecular Processing
Molecular formula
C14H16N2O
Molecular weight
228.29
Exact mass
228.1263
XLogP
0.74
TPSA
41.13
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
67.89
Supplementary Information
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