名称: ethyl 6-[(5,6,7,8-tetrahydro-8,8-dimethyl-5-oxonaphth-3-yl)ethynyl]nicotinate
SMILES:
CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(=O)CCC3(C)C)nc1Molecular Processing
Molecular formula
C22H21NO3
Molecular weight
347.41
Exact mass
347.1521
XLogP
3.91
TPSA
56.26
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
99.21
Supplementary Information
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