الاسم: 4-((4-methylpiperazin-1-yl)methyl)benzoic acid
SMILES:
CN1CCN(Cc2ccc(C(=O)O)cc2)CC1Molecular Processing
Molecular formula
C13H18N2O2
Molecular weight
234.3
Exact mass
234.1368
XLogP
1.13
TPSA
43.78
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
17
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
0.462
Molar refractivity
66.18
Supplementary Information
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