SMILES:
CC1(C)CC(Oc2ccc(O)nn2)c2cc(C#N)ccc2O1Molecular Processing
Molecular formula
C16H15N3O3
Molecular weight
297.31
Exact mass
297.1113
XLogP
2.74
TPSA
88.26
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
77.55
Supplementary Information
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