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Chemical ID: 7702321

c1ccc(cc1)NC(=O)C(=O)NN=Cc2ccc(cc2)OC(=O)c3ccccc3I

Chemical ID:

7702321

Name [?]:

None

SMILES [?]:

c1ccc(cc1)NC(=O)C(=O)NN=Cc2ccc(cc2)OC(=O)c3ccccc3I

InChi [?]:

InChI=1/C22H16IN3O4/c23-19-9-5-4-8-18(19)22(29)30-17-12-10-15(11-13-17)14-24-26-21(28)20(27)25-16-6-2-1-3-7-16/h1-14H,(H,25,27)(H,26,28)

InChi Info:

AuxInfo=1/1/N:1,2,6,26,27,3,5,25,28,16,20,17,19,14,15,4,18,24,29,8,10,22,30,13,7,12,9,11,23,21/E:(2,3)(6,7)(10,11)(12,13)/rA:30nCCCCCCNCOCONNCCCCCCCOCOCCCCCCI/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s18;s21;d22;s22;s24;d25;s26;d27;d24s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₆IN₃O₄
All Atoms:	46
Heavy Atoms:	30
Chiral Atoms:	None

ZAP Information [?]

Total:	13.1123
Area:	679.774
Solvation:	-3.88208
Coulombic:	-65.4606

Bond Count [?]

All:	32
Single:	19
Double:	13
Rotors:	9
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	5.59
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