Name: 4-methyl-5-(1-methyl-2-piperazin-1-ylethyl)-2-benzofuran-1(3H)-one
SMILES:
Cc1c(C(C)CN2CCNCC2)ccc2c1COC2=OMolecular Processing
Molecular formula
C16H22N2O2
Molecular weight
274.36
Exact mass
274.1681
XLogP
1.67
TPSA
41.57
H-bond donors
1
H-bond acceptors
4
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
4
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
78.02
Supplementary Information
Details werden geladen…
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