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L-histidin hydrate hydrochloride

L-histidin hydrate hydrochloride

Formula: C6H12ClN3O3

SMILES: O.Cl.[H][C@]([15NH2])(CC1=CNC=N1)C(O)=O

IUPAC: (2S)-2-amino-3-(1H-imidazol-4-yl)propanoic acid hydrate hydrochloride

InChI: InChI=1S/C6H9N3O2.ClH.H2O/c7-5(6(10)11)1-4-2-8-3-9-4;;/h2-3,5H,1,7H2,(H,8,9)(H,10,11);1H;1H2/t5-;;/m1../s1/i7+1;;

Composition: C (34.22%), H (5.74%), Cl (16.83%), N (13.30%), [15N] (7.12%), O (22.79%)

Molar Mass: 210.62

Atom Count: 25

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 210.0537539
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey CMXXUDSWGMGYLZ-KFNDHIBDSA-N
Lipinski's Rule of Five 1
Molar Refractivity 37.49
Topological Polar Surface Area 92
Polarizability 14.77
Ring Count 1
Rotatable Bond Count 3

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