C1CNCC=C1C2=CC=C(C=C2)OC3=CC=CC=C3
CAS: 171350-05-3
Название: 4-(4-phenoxyphenyl)-1,2,3,6-tetrahydropyridine
SMILES: C1CNCC=C1C2=CC=C(C=C2)OC3=CC=CC=C3

Molecular Processing

Molecular formula
C17H17NO
Molecular weight
251.33
Exact mass
251.131
XLogP
3.86
TPSA
21.26
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
19
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.176
Molar refractivity
78.42

Supplementary Information

InChIKey: ZJXLIAFMDZHNNW-UHFFFAOYSA-N
Синонимы
4-(4-phenoxyphenyl)-1,2,3,6-tetrahydropyridineSCHEMBL3045859SCHEMBL8826016ZJXLIAFMDZHNNW-UHFFFAOYSA-N171350-05-3
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