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Chem L Histidine | Cheminformatics

L-Histidine


  • SKU Code: CH138639
Chemical Name - L-Histidine
Mol Weight - 155.156
Smiles - N[C@@H](Cc1c[nH]cn1)C(O)=O
Property Name Property Value
Mol NameL-Histidine
Molweight155.156
Monoisotopic Mass155.069477
Clogp-3.5054
Clogs-0.38
H Acceptors5
H Donors3
Total Surface Area120.47
Relative Psa0.55093
Polar Surface Area92
Druglikeness-8.9499
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.63636
Molecular Flexibility0.67141
Molecular Complexity0.65162
Fragments1
Non H Atoms11
Non Ch Atoms5
Electronegative Atoms5
Stereo Centers1
Rotatable Bonds3
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms5
Sp3 Atoms4
Amines1
Alkyl Amines1
Aromatic Nitrogens2
Basic Nitrogens2
Acidic Oxygens1
SmilesN[C@@H](Cc1c[nH]cn1)C(O)=O
InChIKeyInChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1
InChIHNDVDQJCIGZPNO-YFKPBYRVSA-N

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