Название: 4-(4-(tert-butoxycarbonyl)piperazin-1-yl)-3-methylbenzoic acid
SMILES:
Cc1cc(C(=O)O)ccc1N1CCN(C(=O)OC(C)(C)C)CC1Molecular Processing
Molecular formula
C17H24N2O4
Molecular weight
320.39
Exact mass
320.1736
XLogP
2.75
TPSA
70.08
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
88.16
Supplementary Information
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