CC(=O)C1=CC2=C(C=C1)C(=CCC2(C)C)C3=CC=CS3
Name: 1-(8,8-dimethyl-5-thiophen-2-yl-7H-naphthalen-2-yl)ethanone
SMILES: CC(=O)C1=CC2=C(C=C1)C(=CCC2(C)C)C3=CC=CS3

Molecular Processing

Molecular formula
C18H18OS
Molecular weight
282.41
Exact mass
282.1078
XLogP
5.06
TPSA
17.07
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
20
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
0.278
Molar refractivity
85.49

Supplementary Information

InChIKey: MLQAFQHTPJOQBN-UHFFFAOYSA-N
Synonyme
SCHEMBL6297374MLQAFQHTPJOQBN-UHFFFAOYSA-N3,4-dihydro-1-(2-thienyl) -4,4-dimethyl-6-acetylnaphthalene3,4-dihydro-1-(2-thienyl)-4,4-dimethyl-6-acetylnaphthalene
Quelle anzeigen →
An 17 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→