SMILES:
Cc1cc(N2N=C3c4ccc(C(=O)O)cc4OCC3C2C(C)C)ccc1C#NMolecular Processing
Molecular formula
C22H21N3O3
Molecular weight
375.43
Exact mass
375.1583
XLogP
3.82
TPSA
85.92
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
28
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
105.92
Supplementary Information
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