ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7711896

Chemical ID:

7711896

Name [?]:

None

SMILES [?]:

Cc1cccc(c1)c2nc(on2)c3ccc(cc3)C(=O)OC

InChi [?]:

InChI=1/C17H14N2O3/c1-11-4-3-5-14(10-11)15-18-16(22-19-15)12-6-8-13(9-7-12)17(20)21-2/h3-10H,1-2H3

InChi Info:

AuxInfo=1/0/N:1,22,4,3,5,14,18,15,17,7,2,13,16,6,8,10,19,9,12,20,21,11/E:(6,7)(8,9)/rA:22nCCCCCCCCNCONCCCCCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d8s11;s10;s13;d14;s15;d16;d13s17;s16;d19;s19;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₄N₂O₃
All Atoms:	36
Heavy Atoms:	22
Chiral Atoms:	None

ZAP Information [?]

Total:	10.5613
Area:	507.284
Solvation:	-2.12084
Coulombic:	-34.8579

Bond Count [?]

All:	24
Single:	15
Double:	9
Rotors:	4
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.48
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