SMILES:
CC1(C)CCCCC(=O)N1Nc1nc(-c2c[nH]c3ncc(Cl)cc23)ncc1FMolecular Processing
Molecular formula
C19H20ClFN6O
Molecular weight
402.86
Exact mass
402.1371
XLogP
4.32
TPSA
86.8
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.368
Molar refractivity
105.1
Supplementary Information
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