ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7655130

Chemical ID:

7655130

Name [?]:

None

SMILES [?]:

CC1(CC(=O)c2cc(ccc2O1)[N+](=O)[O-])C

InChi [?]:

InChI=1/C11H11NO4/c1-11(2)6-9(13)8-5-7(12(14)15)3-4-10(8)16-11/h3-5H,6H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,16,9,10,7,3,8,6,4,11,2,13,5,14,15,12/E:(1,2)(14,15)/CRV:12.5/rA:16nCCCCOCCCCCCON+OO-C/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s2s11;s8;d13;s13;s2;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₁H₁₁NO₄
All Atoms:	27
Heavy Atoms:	16
Chiral Atoms:	None

ZAP Information [?]

Total:	1.74045
Area:	376.633
Solvation:	-7.67538
Coulombic:	-25.513

Bond Count [?]

All:	17
Single:	12
Double:	5
Rotors:	1
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.04
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