C1=CC=C(C=C1)C2=CC=CC(=C2)CC(=O)CC3=CC(=CC=C3)C4=CC=CC=C4
Nom: 1,3-bis(3-phenylphenyl)propan-2-one
SMILES: C1=CC=C(C=C1)C2=CC=CC(=C2)CC(=O)CC3=CC(=CC=C3)C4=CC=CC=C4

Molecular Processing

Molecular formula
C27H22O
Molecular weight
362.47
Exact mass
362.1671
XLogP
6.37
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
6
Heavy atoms
28
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.074
Molar refractivity
116.17

Supplementary Information

InChIKey: PKMWJXWMGBGOAJ-UHFFFAOYSA-N
Synonymes
SCHEMBL3437800PKMWJXWMGBGOAJ-UHFFFAOYSA-N1,3-di(biphenyl-3-yl)propan-2-one
Voir la source →
Impliqué dans 2 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→