Creatine

ScientificNameLabel

Creatine
PHCD compound ID :	1666
Chemical Names :	Creatine
Molecular Formula :	C4H9N3O2
Molecular Weight :	131.069477

More Details :

Names & Synonyms:	2-[carbamimidoyl(methyl)amino]acetic acid , 2-[carbamimidoyl(methyl)amino]ethanoic acid , 2-[amidino(methyl)amino]acetic acid
Smiles:	OC(=O)CN(C(=N)N)C
InChi :	InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9)
InChi Key :	InChIKey=CVSVTCORWBXHQV-UHFFFAOYSA-N
PubChem ID :	586

Rotatable bond count :	3	Rule of five :	0
Hydrogen bond acceptor count :	5	Ionization potential :	9.592403
Hydrogen bond donor count :	3	Electric dipole moment :	3.117
XLogP :	-2.404	VDW volume :	123.038214
Molecular weight :	131.069477	HOMO-LUMO gap :	10.576000

Herb list :

Colt's foot, Horse hoof - Tussilago farfara - پای خر

Refrences & Litretures:


188. Journal:'Journal of Pharmaceutical and Biomedical Analysis' Year:'2013' Volume:'75' Page:'158' DOI:'10.1016/j.jpba.2012.11.023' Title:'Metabolomic pro?ling of the antitussive and expectorant plant Tussilago farfara L. by nuclear magnetic resonance spectroscopy and multivariate data analysis'

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