Name: 5-(1-hydroxy-2-piperazin-1-ylethyl)-4-methyl-2-benzofuran-1(3H)-one
SMILES:
Cc1c(C(O)CN2CCNCC2)ccc2c1COC2=OMolecular Processing
Molecular formula
C15H20N2O3
Molecular weight
276.34
Exact mass
276.1474
XLogP
0.6
TPSA
61.8
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
20
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
74.57
Supplementary Information
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