ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7714836

Chemical ID:

7714836

Name [?]:

None

SMILES [?]:

Cc1ccc2c(c(oc2c1C)C(=O)NCc3ccc(cc3)OC)C

InChi [?]:

InChI=1/C20H21NO3/c1-12-5-10-17-14(3)19(24-18(17)13(12)2)20(22)21-11-15-6-8-16(23-4)9-7-15/h5-10H,11H2,1-4H3,(H,21,22)

InChi Info:

AuxInfo=1/1/N:1,11,24,23,3,17,21,18,20,4,15,2,10,6,16,19,5,9,7,12,14,13,22,8/E:(6,7)(8,9)/rA:24nCCCCCCCOCCCCONCCCCCCCOCC/rB:s1;s2;d3;s4;s5;d6;s7;d5s8;d2s9;s10;s7;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s19;s22;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₁NO₃
All Atoms:	45
Heavy Atoms:	24
Chiral Atoms:	None

ZAP Information [?]

Total:	10.4858
Area:	546.899
Solvation:	-3.18668
Coulombic:	-40.102

Bond Count [?]

All:	26
Single:	18
Double:	8
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.91
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