ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7690606

Chemical ID:

7690606

Name [?]:

None

SMILES [?]:

C=CC(c1ccccc1)Oc2cccc(c2)C=O

InChi [?]:

InChI=1/C16H14O2/c1-2-16(14-8-4-3-5-9-14)18-15-10-6-7-13(11-15)12-17/h2-12,16H,1H2

InChi Info:

AuxInfo=1/0/N:1,2,7,6,8,13,14,5,9,12,16,17,15,4,11,3,18,10/E:(4,5)(8,9)/rA:18cCCCCCCCCCOCCCCCCCO/rB:d1;s2;s3;s4;d5;s6;d7;d4s8;s3;s10;s11;d12;s13;d14;d11s15;s15;d17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₄O₂
All Atoms:	32
Heavy Atoms:	18
Chiral Atoms:	None

ZAP Information [?]

Total:	7.48704
Area:	434.286
Solvation:	-3.37012
Coulombic:	-18.8892

Bond Count [?]

All:	19
Single:	11
Double:	8
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.82
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

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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