SMILES:
COC(=O)C(C)(N)Cc1ccc(-c2ccc(C#N)cc2)cc1Molecular Processing
Molecular formula
C18H18N2O2
Molecular weight
294.35
Exact mass
294.1368
XLogP
2.66
TPSA
76.11
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
84.91
Supplementary Information
Details werden geladen…
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