SMILES:
COc1ccc(Cn2cc(C(=O)CC#N)cn2)cc1Molecular Processing
Molecular formula
C14H13N3O2
Molecular weight
255.28
Exact mass
255.1008
XLogP
2.04
TPSA
67.91
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
68.88
Supplementary Information
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