SMILES:
CC1(C)c2ncn(-c3ccccc3)c2CCN1C(=O)c1cccc(C(F)(F)F)c1ClMolecular Processing
Molecular formula
C22H19ClF3N3O
Molecular weight
433.86
Exact mass
433.1169
XLogP
5.48
TPSA
38.13
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
107.78
Supplementary Information
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