ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7685366

Chemical ID:

7685366

Name [?]:

None

SMILES [?]:

CCCCCCN1C(=O)c2cccc(c2C1=O)[N+](=O)[O-]

InChi [?]:

InChI=1/C14H16N2O4/c1-2-3-4-5-9-15-13(17)10-7-6-8-11(16(19)20)12(10)14(15)18/h6-8H,2-5,9H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,3,4,5,12,11,13,6,10,14,15,8,16,7,18,9,17,19,20/E:(19,20)/CRV:16.5/rA:20nCCCCCCNCOCCCCCCCON+OO-/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s7s15;d16;s14;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₆N₂O₄
All Atoms:	36
Heavy Atoms:	20
Chiral Atoms:	None

ZAP Information [?]

Total:	2.57304
Area:	475.131
Solvation:	-9.30524
Coulombic:	-34.1792

Bond Count [?]

All:	21
Single:	15
Double:	6
Rotors:	6
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.39
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