CN(C)/C=C(/C(=O)C1CC1)c1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1
SMILES: CN(C)/C=C(/C(=O)C1CC1)c1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1

Molecular Processing

Molecular formula
C25H23FN6O
Molecular weight
442.5
Exact mass
442.1917
XLogP
3.96
TPSA
76.8
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
33
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.24
Molar refractivity
123.45

Supplementary Information

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