SMILES:
COc1cc(OC)cc(C(=CC#N)c2ccc3c(c2)OCCO3)c1Molecular Processing
Molecular formula
C19H17NO4
Molecular weight
323.35
Exact mass
323.1158
XLogP
3.43
TPSA
60.71
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.211
Molar refractivity
89.67
Supplementary Information
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