SMILES:
COc1ccc(CCc2oc3ccc(C#N)cc3c2C(=O)O)cc1Molecular Processing
Molecular formula
C19H15NO4
Molecular weight
321.33
Exact mass
321.1001
XLogP
3.8
TPSA
83.46
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
24
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.158
Molar refractivity
88.29
Supplementary Information
Obteniendo detalles…
Participa en 6 reacciones→