COc1c(C#N)cc(C(=O)Cl)cc1C(F)(F)F
SMILES: COc1c(C#N)cc(C(=O)Cl)cc1C(F)(F)F

Molecular Processing

Molecular formula
C10H5ClF3NO2
Molecular weight
263.6
Exact mass
262.9961
XLogP
2.96
TPSA
50.09
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
52.89

Supplementary Information

Details werden geladen…

An 6 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→