SMILES:
Cn1c(=O)c2c(I)cccc2n2cnc(-c3noc(C4CC4)n3)c12Molecular Processing
Molecular formula
C16H12IN5O2
Molecular weight
433.21
Exact mass
433.0036
XLogP
2.72
TPSA
78.22
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
24
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
95.92
Supplementary Information
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