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6-Methyl-4-phenylcinnoline
ScientificNameLabel
6-Methyl-4-phenylcinnoline
PHCD compound ID :
2979
Chemical Names :
6-Methyl-4-phenylcinnoline
Molecular Formula :
C15H12N2
Molecular Weight :
220.100048
More Details :
Names & Synonyms:
6-methyl-4-phenyl-cinnoline , 6-methyl-4-phenylcinnoline
Smiles:
Cc1ccc2c(c1)c(cnn2)c1ccccc1
InChi :
InChI=1S/C15H12N2/c1-11-7-8-15-13(9-11)14(10-16-17-15)12-5-3-2-4-6-12/h2-10H,1H3
InChi Key :
InChIKey=AAUUBEYAXBUHPZ-UHFFFAOYSA-N
PubChem ID :
613246
Rotatable bond count :
1
Rule of five :
0
Hydrogen bond acceptor count :
2
Ionization potential :
9.537567
Hydrogen bond donor count :
0
Electric dipole moment :
5.580
XLogP :
3.656
VDW volume :
199.128703
Molecular weight :
220.100048
HOMO-LUMO gap :
8.434000
Herb list :
Saffron, Crocus - Crocus sativus - زعفران
Refrences & Litretures:
377. Journal:'Pharmaceutical Biology' Year:'2011' Volume:'49' Page:'756' DOI:'10.3109/13880209.2010.547206' Title:'Chemical constituents and bioactivities of the liposoluble fraction from different medicinal parts of Crocus sativus'
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