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Chem R Amino 4 Hydroxyphenylacetic Acid Methyl Ester Hydrochloride Dy | Cheminformatics

(R)-Amino-(4-Hydroxyphenyl)Acetic Acid Methyl Este


  • SKU Code: CH140236
Chemical Name - (R)-Amino-(4-Hydroxyphenyl)Acetic Acid Methyl Ester Hydrochloride
Mol Weight - 181.19
Smiles - COC([C@@H](c(cc1)ccc1O)N)=O.Cl
Property Name Property Value
Mol Name(R)-Amino-(4-Hydroxyphenyl)Acetic Acid Methyl Ester Hydrochloride
Molweight181.19
Monoisotopic Mass181.073894
Clogp-0.2429
Clogs-0.954
H Acceptors4
H Donors2
Total Surface Area140.64
Relative Psa0.36554
Polar Surface Area72.55
Druglikeness-14.294
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.69231
Molecular Flexibility0.3519
Molecular Complexity0.59725
Fragments2
Non H Atoms13
Non Ch Atoms4
Electronegative Atoms4
Stereo Centers1
Rotatable Bonds3
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3 Atoms5
Symmetric Atoms2
Amines1
Alkyl Amines1
Basic Nitrogens1
SmilesCOC([C@@H](c(cc1)ccc1O)N)=O.Cl
InChIKeyInChI=1S/C9H11NO3.ClH/c1-13-9(12)8(10)6-2-4-7(11)5-3-6;/h2-5,8,11H,10H2,1H3;1H/t8-;/m1./s1
InChIUYCKVJUNDXPDJH-DDWIOCJRSA-N

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