SMILES:
CCc1nc(-c2ccccc2)cn1Cc1ccc2c(c1)COc1ccccc1C2=C(C)C#NMolecular Processing
Molecular formula
C29H25N3O
Molecular weight
431.54
Exact mass
431.1998
XLogP
6.4
TPSA
50.84
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
33
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.172
Molar refractivity
130.67
Supplementary Information
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