Name: compound 64
SMILES:
CCC#CC(=O)Nc1cccc(-c2cnc3[nH]cc(C)c3c2)c1Molecular Processing
Molecular formula
C19H17N3O
Molecular weight
303.37
Exact mass
303.1372
XLogP
3.89
TPSA
57.78
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.158
Molar refractivity
92.96
Supplementary Information
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