SMILES:
COc1ccc(NC(=NC#N)N2CCn3c(c(C(N)=O)c(Cl)c3-c3ccccc3)C2)cc1Molecular Processing
Molecular formula
C23H21ClN6O2
Molecular weight
448.91
Exact mass
448.1415
XLogP
3.68
TPSA
108.67
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.174
Molar refractivity
123.47
Supplementary Information
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