CN(c1ccccc1)c1nc2cc(C#N)nc(-c3cncc(Cl)c3)c2n1C[C@H]1CC[C@H](C)CC1
SMILES: CN(c1ccccc1)c1nc2cc(C#N)nc(-c3cncc(Cl)c3)c2n1C[C@H]1CC[C@H](C)CC1

Molecular Processing

Molecular formula
C27H27ClN6
Molecular weight
471.01
Exact mass
470.1986
XLogP
6.61
TPSA
70.63
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
34
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
136.11

Supplementary Information

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