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Chem L Proline Benzyl Ester Hydrochloride | Cheminformatics

L-proline benzyl ester hydrochloride


  • SKU Code: CH137104
Chemical Name - L-proline benzyl ester hydrochloride
Mol Weight - 205.256
Smiles - O=C([C@H]1NCCC1)OCc1ccccc1.Cl
Property Name Property Value
Mol NameL-proline benzyl ester hydrochloride
Molweight205.256
Monoisotopic Mass205.110279
Clogp1.2969
Clogs-2.159
H Acceptors3
H Donors1
Total Surface Area166.51
Relative Psa0.20719
Polar Surface Area38.33
Druglikeness-1.425
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.66667
Molecular Flexibility0.42935
Molecular Complexity0.54381
Fragments2
Non H Atoms15
Non Ch Atoms3
Electronegative Atoms3
Stereo Centers1
Rotatable Bonds4
Rings Closures2
Small Rings2
Aromatic Rings1
Aromatic Atoms6
Sp3 Atoms7
Symmetric Atoms2
Amines1
Alkyl Amines1
Basic Nitrogens1
SmilesO=C([C@H]1NCCC1)OCc1ccccc1.Cl
InChIKeyInChI=1S/C12H15NO2.ClH/c14-12(11-7-4-8-13-11)15-9-10-5-2-1-3-6-10;/h1-3,5-6,11,13H,4,7-9H2;1H/t11-;/m0./s1
InChINEDMOHHWRPHBAL-MERQFXBCSA-N

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