CC1(c2cc(NC(=O)c3ncccc3OCC(F)(F)F)ccc2F)N=C(N)OCC1(F)F
SMILES: CC1(c2cc(NC(=O)c3ncccc3OCC(F)(F)F)ccc2F)N=C(N)OCC1(F)F

Molecular Processing

Molecular formula
C19H16F6N4O3
Molecular weight
462.35
Exact mass
462.1127
XLogP
3.61
TPSA
98.83
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.316
Molar refractivity
100.01

Supplementary Information

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