ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7668000

Chemical ID:

7668000

Name [?]:

None

SMILES [?]:

c1cc(c(cc1Cl)Cl)OCn2ccc(n2)C(=O)NN

InChi [?]:

InChI=1/C11H10Cl2N4O2/c12-7-1-2-10(8(13)5-7)19-6-17-4-3-9(16-17)11(18)15-14/h1-5H,6,14H2,(H,15,18)

InChi Info:

AuxInfo=1/1/N:1,2,13,12,5,10,6,4,14,3,16,7,8,19,18,15,11,17,9/rA:19nCCCCCCClClOCNCCCNCONN/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;s9;s10;s11;d12;s13;s11d14;s14;d16;s16;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₁H₁₀Cl₂N₄O₂
All Atoms:	29
Heavy Atoms:	19
Chiral Atoms:	None

ZAP Information [?]

Total:	8.64943
Area:	493.073
Solvation:	-3.67741
Coulombic:	-41.9585

Bond Count [?]

All:	20
Single:	14
Double:	6
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.03
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

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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