ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7708413

Chemical ID:

7708413

Name [?]:

None

SMILES [?]:

CCOC(=O)c1ccccc1NC(=O)COc2cccc3c2cccc3

InChi [?]:

InChI=1/C21H19NO4/c1-2-25-21(24)17-11-5-6-12-18(17)22-20(23)14-26-19-13-7-9-15-8-3-4-10-16(15)19/h3-13H,2,14H2,1H3,(H,22,23)

InChi Info:

AuxInfo=1/1/N:1,2,25,24,8,9,19,26,20,23,7,10,18,15,21,22,6,11,17,13,4,12,14,5,3,16/rA:26nCCOCOCCCCCCNCOCOCCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s11;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₁₉NO₄
All Atoms:	45
Heavy Atoms:	26
Chiral Atoms:	None

ZAP Information [?]

Total:	10.0762
Area:	575.613
Solvation:	-4.31419
Coulombic:	-50.5136

Bond Count [?]

All:	28
Single:	18
Double:	10
Rotors:	8
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.73
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