ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7078606

Chemical ID:

7078606

Name [?]:

None

SMILES [?]:

Cn1c2ccccc2c(c-3c(nc(=O)nc13)O)C(=O)OC

InChi [?]:

InChI=1/C14H11N3O4/c1-17-8-6-4-3-5-7(8)9(13(19)21-2)10-11(17)15-14(20)16-12(10)18/h3-6H,1-2H3,(H,16,18,20)

InChi Info:

AuxInfo=1/1/N:1,21,6,5,7,4,8,3,9,10,16,11,18,13,15,12,2,17,19,14,20/rA:21nCNCCCCCCCCCNCONCOCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s10;d11;s12;d13;s13;s2s10d15;s11;s9;d18;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₁N₃O₄
All Atoms:	32
Heavy Atoms:	21
Chiral Atoms:	None

ZAP Information [?]

Total:	7.74757
Area:	436.496
Solvation:	-3.16484
Coulombic:	-65.6707

Bond Count [?]

All:	23
Single:	15
Double:	8
Rotors:	2
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	1.11
LogP (Chemaxon):	None

Name Annotations

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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