Cn1c(Nc2ccc(Cl)cc2)nc2cc(Oc3ccnc(C4=NCCN4)c3)ccc21
SMILES: Cn1c(Nc2ccc(Cl)cc2)nc2cc(Oc3ccnc(C4=NCCN4)c3)ccc21

Molecular Processing

Molecular formula
C22H19ClN6O
Molecular weight
418.89
Exact mass
418.1309
XLogP
4.51
TPSA
76.36
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
30
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.136
Molar refractivity
119.17

Supplementary Information

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