الاسم: 4-Piperazin-1-ylmethyl-benzoic acid
SMILES:
O=C(O)c1ccc(CN2CCNCC2)cc1Molecular Processing
Molecular formula
C12H16N2O2
Molecular weight
220.27
Exact mass
220.1212
XLogP
0.79
TPSA
52.57
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
61.55
Supplementary Information
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