SMILES:
O=C(NNc1ccnc2cc(Cl)ccc12)c1ccncc1Nc1ccc(I)cc1FMolecular Processing
Molecular formula
C21H14ClFIN5O
Molecular weight
533.73
Exact mass
532.9916
XLogP
5.53
TPSA
78.94
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
30
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0
Molar refractivity
124.48
Supplementary Information
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