ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7709183

Chemical ID:

7709183

Name [?]:

None

SMILES [?]:

CCCC(=O)Nc1ccc2c(c1)C(=O)NC2=O

InChi [?]:

InChI=1/C12H12N2O3/c1-2-3-10(15)13-7-4-5-8-9(6-7)12(17)14-11(8)16/h4-6H,2-3H2,1H3,(H,13,15)(H,14,16,17)

InChi Info:

AuxInfo=1/1/N:1,2,3,8,9,12,7,10,11,4,16,13,6,15,5,17,14/rA:17nCCCCONCCCCCCCONCO/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s11;d13;s13;s10s15;d16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₂H₁₂N₂O₃
All Atoms:	29
Heavy Atoms:	17
Chiral Atoms:	None

ZAP Information [?]

Total:	7.21678
Area:	417.296
Solvation:	-3.21561
Coulombic:	-48.9493

Bond Count [?]

All:	18
Single:	12
Double:	6
Rotors:	4
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	1.07
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