SMILES:
O=CC1CC(N2CCCCC2Nc2nc(-c3c[nH]c4ncc(Cl)cc34)ncc2F)C1Molecular Processing
Molecular formula
C21H22ClFN6O
Molecular weight
428.9
Exact mass
428.1528
XLogP
4.01
TPSA
86.8
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
30
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
112.63
Supplementary Information
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