SMILES:
COc1ccc(CNc2ncccc2C#N)c(OC)c1Molecular Processing
Molecular formula
C15H15N3O2
Molecular weight
269.3
Exact mass
269.1164
XLogP
2.58
TPSA
67.17
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
20
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
0.2
Molar refractivity
75.82
Supplementary Information
Details werden geladen…
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