CC(C)C(=C=O)c1ccc(Cl)cc1
SMILES: CC(C)C(=C=O)c1ccc(Cl)cc1

Molecular Processing

Molecular formula
C11H11ClO
Molecular weight
194.66
Exact mass
194.0498
XLogP
3.21
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
55.39

Supplementary Information

Details werden geladen…

An 8 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→