Name: compound 242
SMILES:
COc1cc2c(cc1N1CCOCC1)C/C(=C\c1cccnc1)C2=OMolecular Processing
Molecular formula
C20H20N2O3
Molecular weight
336.39
Exact mass
336.1474
XLogP
2.75
TPSA
51.66
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
25
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
96.27
Supplementary Information
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