SMILES:
CCCc1ccc(-c2ccc(C(=O)OC)nc2-c2ccccc2)cc1Molecular Processing
Molecular formula
C22H21NO2
Molecular weight
331.41
Exact mass
331.1572
XLogP
5.15
TPSA
39.19
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
100.44
Supplementary Information
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