SMILES:
O=C(NOCC1CC1)c1cc2[nH]cnc2c(F)c1Nc1ccc(Br)cc1ClMolecular Processing
Molecular formula
C18H15BrClFN4O2
Molecular weight
453.7
Exact mass
452.0051
XLogP
4.93
TPSA
79.04
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
27
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
0.222
Molar refractivity
104.63
Supplementary Information
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