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Compound: 5546
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References: 992
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Sedridine
ScientificNameLabel
Sedridine
PHCD compound ID :
4448
Chemical Names :
Sedridine
Molecular Formula :
C8H17N1O1
Molecular Weight :
143.131014
More Details :
Names & Synonyms:
(2S)-1-[(2S)-2-piperidyl]propan-2-ol , (2S)-1-[(2S)-2-piperidinyl]-2-propanol , (2S)-1-[(2S)-piperidin-2-yl]propan-2-ol
Smiles:
C[C@@H](C[C@@H]1CCCCN1)O
InChi :
InChI=1S/C8H17NO/c1-7(10)6-8-4-2-3-5-9-8/h7-10H,2-6H2,1H3/t7-,8-/m0/s1
InChi Key :
InChIKey=GFKFBLJVPWRDEL-YUMQZZPRSA-N
PubChem ID :
164633
Rotatable bond count :
2
Rule of five :
0
Hydrogen bond acceptor count :
2
Ionization potential :
8.931686
Hydrogen bond donor count :
2
Electric dipole moment :
1.456
XLogP :
1.263
VDW volume :
154.354864
Molecular weight :
143.131014
HOMO-LUMO gap :
12.129000
Herb list :
Pomegranate - Punica granatum - گلنار، انار
Refrences & Litretures:
658. Journal:'Journal of Ethnopharmacology' Year:'2007' Volume:'109' Page:'177' DOI:'10.1016/j.jep.2006.09.006' Title:'Punica granatum (pomegranate) and its potential for prevention and treatment of in?ammation and cancer'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
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