SMILES:
COCc1cc(N2N=C3c4ccc(C(=O)O)cc4CCC3C2C2CCCC2)ccc1C#NMolecular Processing
Molecular formula
C26H27N3O3
Molecular weight
429.52
Exact mass
429.2052
XLogP
4.75
TPSA
85.92
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
32
Rings
5
Aromatic rings
2
Saturated rings
1
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.423
Molar refractivity
121.84
Supplementary Information
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