ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7715080

Chemical ID:

7715080

Name [?]:

None

SMILES [?]:

COCC(=O)c1ccc(cc1)c2ccccc2

InChi [?]:

InChI=1/C15H14O2/c1-17-11-15(16)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10H,11H2,1H3

InChi Info:

AuxInfo=1/0/N:1,15,14,16,13,17,8,10,7,11,3,12,9,6,4,5,2/E:(3,4)(5,6)(7,8)(9,10)/rA:17nCOCCOCCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₄O₂
All Atoms:	31
Heavy Atoms:	17
Chiral Atoms:	None

ZAP Information [?]

Total:	6.30026
Area:	428.477
Solvation:	-4.41166
Coulombic:	-17.709

Bond Count [?]

All:	18
Single:	11
Double:	7
Rotors:	4
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.28
LogP (Chemaxon):	None

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value