الاسم: ethyl 4-(4,4-dimethyl-2-oxo-1,2,3,4-tetrahydro-6-quinolinyl) ethynyl benzoate
SMILES:
CC1(C)CC(=O)Nc2ccc(C#Cc3ccc(C(=O)[O-])cc3)cc21Molecular Processing
Molecular formula
C20H16NO3-
Molecular weight
318.35
Exact mass
318.1136
XLogP
2.07
TPSA
69.23
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
-1
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
89.47
Supplementary Information
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