Phytochemical: (7aS)-1,4,4,7a-tetramethyl-5H-indene

Connections displayed (default: 10).

Loading graph...

Topological Polar Surface Area	0.0
Hydrogen Bond Donor Count	0.0
Heavy Atom Count	13.0
Isotope Atom Count	0.0
Molecular Complexity	326.0
Database Name	cmaup_ingredients;pubchem
Defined Atom Stereocenter Count	1.0
Iupac Name	(7aS)-1,4,4,7a-tetramethyl-5H-indene
Prediction Hob	1.0
Xlogp	3.7
Molecular Formula	C13H18
Prediction Swissadme	0.0
Inchi Key	XOFDOXJFXCEFDE-ZDUSSCGKSA-N
Fcsp3	0.5384615384615384
Logs	-3.721
Rotatable Bond Count	0.0
Logd	3.325
Compound Name	(7aS)-1,4,4,7a-tetramethyl-5H-indene
Prediction Hob Swissadme	0.0
Exact Mass	174.141
Formal Charge	0.0
Monoisotopic Mass	174.141
Hydrogen Bond Acceptor Count	0.0
Molecular Weight	174.28
Covalent Unit Count	1.0
Total Atom Stereocenter Count	1.0
Total Bond Stereocenter Count	0.0
Esol	-3.2326794
Inchi	InChI=1S/C13H18/c1-10-6-7-11-12(2,3)8-5-9-13(10,11)4/h5-7,9H,8H2,1-4H3/t13-/m0/s1
Smiles	CC1=CC=C2[C@]1(C=CCC2(C)C)C
Nring	2.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Astragalus Pterocarpus (Plant) Rel Props:Source_db:cmaup_ingredients
2. Outgoing r'ship FOUND_IN to/from Cydonia Oblonga (Plant) Rel Props:Source_db:cmaup_ingredients
3. Outgoing r'ship FOUND_IN to/from Garcinia Cowa (Plant) Rel Props:Source_db:cmaup_ingredients
4. Outgoing r'ship FOUND_IN to/from Gnaphalium Gaudichaudianum (Plant) Rel Props:Source_db:cmaup_ingredients
5. Outgoing r'ship FOUND_IN to/from Rumex Dentatus (Plant) Rel Props:Source_db:cmaup_ingredients
6. Outgoing r'ship FOUND_IN to/from Sanguinaria Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients
7. Outgoing r'ship FOUND_IN to/from Uncaria Cordata (Plant) Rel Props:Source_db:cmaup_ingredients
8. Outgoing r'ship FOUND_IN to/from Woodfordia Fruticosa (Plant) Rel Props:Source_db:cmaup_ingredients

GRAYU Website