SMILES:
COc1ccc(CN2Cc3c(C#N)ncn3-c3ccc(Cl)cc3C2=O)c(OC)c1Molecular Processing
Molecular formula
C21H17ClN4O3
Molecular weight
408.85
Exact mass
408.0989
XLogP
3.57
TPSA
80.38
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.19
Molar refractivity
106.41
Supplementary Information
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