ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7689611

Chemical ID:

7689611

Name [?]:

None

SMILES [?]:

CCOc1ccccc1c2nc(no2)c3ccc4c(c3)OCO4

InChi [?]:

InChI=1/C17H14N2O4/c1-2-20-13-6-4-3-5-12(13)17-18-16(19-23-17)11-7-8-14-15(9-11)22-10-21-14/h3-9H,2,10H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,7,6,8,5,16,17,20,22,15,9,4,18,19,12,10,11,13,3,23,21,14/rA:23nCCOCCCCCCCNCNOCCCCCCOCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s11;d12;s10s13;s12;s15;d16;s17;d18;d15s19;s19;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₄N₂O₄
All Atoms:	37
Heavy Atoms:	23
Chiral Atoms:	None

ZAP Information [?]

Total:	8.22032
Area:	507.848
Solvation:	-4.47587
Coulombic:	-36.6254

Bond Count [?]

All:	26
Single:	18
Double:	8
Rotors:	4
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.2
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