이름: 4-hydroxy-4-phenyl-3-(2,3,4,5-tetrahydropyridin-6-yl)but-3-en-2-one
SMILES:
CC(=O)C(=C(C1=CC=CC=C1)O)C2=NCCCC2Molecular Processing
Molecular formula
C15H17NO2
Molecular weight
243.31
Exact mass
243.1259
XLogP
3.17
TPSA
49.66
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
72.82
Supplementary Information
InChIKey: LHMGGNZHQFWBBH-UHFFFAOYSA-N
동의어
SCHEMBL11367779SCHEMBL11367782FDLRKJLROLZOLI-UHFFFAOYSA-N1-phenyl-2-(2-piperidinylidene)-1,3-butanedione
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