CC(C)Oc1cc(OCCCN2CCOCC2)cc2ncnc(Nc3c(Cl)cc(C#Cc4ccccn4)c4c3OCO4)c12
SMILES: CC(C)Oc1cc(OCCCN2CCOCC2)cc2ncnc(Nc3c(Cl)cc(C#Cc4ccccn4)c4c3OCO4)c12

Molecular Processing

Molecular formula
C32H32ClN5O5
Molecular weight
602.09
Exact mass
601.2092
XLogP
5.44
TPSA
100.09
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
9
Heavy atoms
43
Rings
6
Aromatic rings
4
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.344
Molar refractivity
163.75

Supplementary Information

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