CC1=CC(=O)N(c2cc([NH3+])cc(N3C(=O)C=C(C)C3=O)c2)C1=O.O=C([O-])C(F)(F)F
Name: 4
SMILES: CC1=CC(=O)N(c2cc([NH3+])cc(N3C(=O)C=C(C)C3=O)c2)C1=O.O=C([O-])C(F)(F)F

Molecular Processing

Molecular formula
C18H14F3N3O6
Molecular weight
425.32
Exact mass
425.0835
XLogP
-0.5
TPSA
142.53
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
30
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
2
Fraction Csp3
0.167
Molar refractivity
92.55

Supplementary Information

Details werden geladen…

An 2 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→