SMILES:
COCCOc1ccc2c(C#N)c(-c3ccc(N)cc3)n(C3CCC3)c2c1Molecular Processing
Molecular formula
C22H23N3O2
Molecular weight
361.45
Exact mass
361.179
XLogP
4.51
TPSA
73.2
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
106.76
Supplementary Information
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