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Chemical ID: 7702371

COc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)c3ccc(cc3O)O

Chemical ID:

7702371

Name [?]:

None

SMILES [?]:

COc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)c3ccc(cc3O)O

InChi [?]:

InChI=1/C22H18N2O6/c1-29-17-9-4-15(5-10-17)22(28)30-18-7-2-14(3-8-18)13-23-24-21(27)19-11-6-16(25)12-20(19)26/h2-13,25-26H,1H3,(H,24,27)

InChi Info:

AuxInfo=1/1/N:1,14,16,5,7,25,13,17,4,8,24,27,18,15,6,26,3,12,23,28,21,9,19,20,30,29,22,10,2,11/E:(2,3)(4,5)(7,8)(9,10)/rA:30nCOCCCCCCCOOCCCCCCCNNCOCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;w18;s19;s20;d21;s21;s23;d24;s25;d26;d23s27;s28;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₈N₂O₆
All Atoms:	48
Heavy Atoms:	30
Chiral Atoms:	None

ZAP Information [?]

Total:	8.80465
Area:	660.251
Solvation:	-7.70162
Coulombic:	-76.8405

Bond Count [?]

All:	32
Single:	20
Double:	12
Rotors:	8
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	5.03
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