名称: 3-[4-(1,1-dimethylheptyl)-2-hydroxyphenyl]-1,2,5,6-tetrahydropyridine
SMILES:
CCCCCCC(C)(C)c1ccc(C2=CCCNC2)c(O)c1Molecular Processing
Molecular formula
C20H31NO
Molecular weight
301.47
Exact mass
301.2406
XLogP
5.02
TPSA
32.26
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
7
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
95.36
Supplementary Information
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