SMILES:
C#Cc1cccc(NC(=O)C(F)(F)F)c1Molecular Processing
Molecular formula
C10H6F3NO
Molecular weight
213.16
Exact mass
213.0401
XLogP
2.17
TPSA
29.1
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.1
Molar refractivity
49.06
Supplementary Information
Загрузка подробностей…
Участвует в 8 реакциях→