SMILES:
COc1cc(Nc2c(C#N)cnc3cc(C=Cc4ccncc4)ccc23)c(Cl)cc1ClMolecular Processing
Molecular formula
C24H16Cl2N4O
Molecular weight
447.33
Exact mass
446.0701
XLogP
6.73
TPSA
70.83
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
31
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.042
Molar refractivity
125.92
Supplementary Information
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