COc1cc(C(=O)O)ccc1OCCCCCOc1ccc(C#N)cc1
SMILES: COc1cc(C(=O)O)ccc1OCCCCCOc1ccc(C#N)cc1

Molecular Processing

Molecular formula
C20H21NO5
Molecular weight
355.39
Exact mass
355.142
XLogP
3.89
TPSA
88.78
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
26
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
95.95

Supplementary Information

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