ChemicalDetail: Details for an Individual Chemical

Download

Chemical ID: 7698647

Chemical ID:

7698647

Name [?]:

None

SMILES [?]:

COc1cccc(c1)C(=O)Oc2cccc(c2)O

InChi [?]:

InChI=1/C14H12O4/c1-17-12-6-2-4-10(8-12)14(16)18-13-7-3-5-11(15)9-13/h2-9,15H,1H3

InChi Info:

AuxInfo=1/0/N:1,5,14,6,15,4,13,8,17,7,16,3,12,9,18,10,2,11/rA:18nCOCCCCCCCOOCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₂O₄
All Atoms:	30
Heavy Atoms:	18
Chiral Atoms:	None

ZAP Information [?]

Total:	7.19948
Area:	434.533
Solvation:	-3.66384
Coulombic:	-43.6118

Bond Count [?]

All:	19
Single:	12
Double:	7
Rotors:	4
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.03
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