C1CN(CCN1)CC2=CC3=C(C=C2)OC=CO3
الاسم: 1-(1,4-benzodioxin-6-ylmethyl)piperazine
SMILES: C1CN(CCN1)CC2=CC3=C(C=C2)OC=CO3

Molecular Processing

Molecular formula
C13H16N2O2
Molecular weight
232.28
Exact mass
232.1212
XLogP
1.33
TPSA
33.73
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
17
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
64.98

Supplementary Information

InChIKey: NVHOOUPBYMVJAR-UHFFFAOYSA-N
مرادفات
SCHEMBL10846109NVHOOUPBYMVJAR-UHFFFAOYSA-N1-(6-benzodioxinyl methyl)piperazine
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