الاسم: 2-(2,4-Dichlorophenyl)-1-(methoxycarbonyl)piperidine-4-carboxylic acid
SMILES:
COC(=O)N1CCC(C(=O)O)CC1c1ccc(Cl)cc1ClMolecular Processing
Molecular formula
C14H15Cl2NO4
Molecular weight
332.18
Exact mass
331.0378
XLogP
3.6
TPSA
66.84
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
78.67
Supplementary Information
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