ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7669341

Chemical ID:

7669341

Name [?]:

None

SMILES [?]:

c1cc(c(c(c1)Cl)Cl)OCn2ccc(n2)C(=O)O

InChi [?]:

InChI=1/C11H8Cl2N2O3/c12-7-2-1-3-9(10(7)13)18-6-15-5-4-8(14-15)11(16)17/h1-5H,6H2,(H,16,17)

InChi Info:

AuxInfo=1/1/N:1,6,2,13,12,10,5,14,3,4,16,7,8,15,11,17,18,9/E:(16,17)/rA:18nCCCCCCClClOCNCCCNCOO/rB:s1;d2;s3;d4;d1s5;s5;s4;s3;s9;s10;s11;d12;s13;s11d14;s14;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₁H₈Cl₂N₂O₃
All Atoms:	26
Heavy Atoms:	18
Chiral Atoms:	None

ZAP Information [?]

Total:	8.18998
Area:	461.75
Solvation:	-3.35377
Coulombic:	-41.7448

Bond Count [?]

All:	19
Single:	13
Double:	6
Rotors:	4
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.24
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