الاسم: 4,4-dimethyl-2-isopropoxy-1,2,3,4-tetrahydro-7-ethynylquinoline
SMILES:
C#Cc1ccc2c(c1)NC(OC(C)C)CC2(C)CMolecular Processing
Molecular formula
C16H21NO
Molecular weight
243.35
Exact mass
243.1623
XLogP
3.51
TPSA
21.26
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
75.65
Supplementary Information
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