Phytochemical: Heptylidyneoxidanium

Connections displayed (default: 10).

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Topological Polar Surface Area	1.0
Hydrogen Bond Donor Count	0.0
Heavy Atom Count	8.0
Isotope Atom Count	0.0
Molecular Complexity	77.6
Database Name	cmaup_ingredients;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	heptylidyneoxidanium
Prediction Hob	1.0
Xlogp	2.8
Molecular Formula	C7H12O
Prediction Swissadme	0.0
Inchi Key	LGDCXDZIQOEXJE-UHFFFAOYSA-N
Fcsp3	0.7142857142857143
Logs	-2.226
Rotatable Bond Count	4.0
Logd	1.654
Compound Name	Heptylidyneoxidanium
Prediction Hob Swissadme	0.0
Exact Mass	112.089
Formal Charge	0.0
Monoisotopic Mass	112.089
Hydrogen Bond Acceptor Count	1.0
Molecular Weight	112.17
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	0.0
Esol	-2.0480663999999997
Inchi	InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h1-6H2
Smiles	[CH2-]CCCCCC#[O+]
Nring	0.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients
2. Outgoing r'ship FOUND_IN to/from Dendrobium Fimbriatum (Plant) Rel Props:Source_db:cmaup_ingredients
3. Outgoing r'ship FOUND_IN to/from Gossypium Herbaceum (Plant) Rel Props:Source_db:cmaup_ingredients
4. Outgoing r'ship FOUND_IN to/from Hansenia Forbesii (Plant) Rel Props:Source_db:cmaup_ingredients
5. Outgoing r'ship FOUND_IN to/from Ixora Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients
6. Outgoing r'ship FOUND_IN to/from Murraya Paniculata (Plant) Rel Props:Source_db:cmaup_ingredients
7. Outgoing r'ship FOUND_IN to/from Oplopanax Elatus (Plant) Rel Props:Source_db:cmaup_ingredients
8. Outgoing r'ship FOUND_IN to/from Prunus Persica (Plant) Rel Props:Source_db:cmaup_ingredients
9. Outgoing r'ship FOUND_IN to/from Sagittaria Sagittifolia (Plant) Rel Props:Source_db:cmaup_ingredients

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