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Chemical ID: 6628026

c1cc(ccc1C=NNC(=O)COc2ccc(cc2Cl)Cl)OC(=O)c3ccc(cc3Cl)Cl

Chemical ID:

6628026

Name [?]:

[4-[[2-(2,4-dichlorophenoxy)acetyl]aminoiminomethyl]phenyl] 2,4-dichlorobenzoate

SMILES [?]:

c1cc(ccc1C=NNC(=O)COc2ccc(cc2Cl)Cl)OC(=O)c3ccc(cc3Cl)Cl

InChi [?]:

InChI=1/C22H14Cl4N2O4/c23-14-3-7-17(18(25)9-14)22(30)32-16-5-1-13(2-6-16)11-27-28-21(29)12-31-20-8-4-15(24)10-19(20)26/h1-11H,12H2,(H,28,29)

InChi Info:

AuxInfo=1/1/N:1,5,27,16,2,4,26,15,29,18,7,12,6,28,17,3,25,30,19,14,10,23,32,21,31,20,8,9,11,24,13,22/E:(1,2)(5,6)/rA:32nCCCCCCCNNCOCOCCCCCCClClOCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s17;s3;s22;d23;s23;s25;d26;s27;d28;d25s29;s30;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₄Cl₄N₂O₄
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	11.7869
Area:	746.967
Solvation:	-6.88728
Coulombic:	-46.1644

Bond Count [?]

All:	34
Single:	22
Double:	12
Rotors:	9
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	512.168
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	7.67
LogP (Chemaxon):	6.32

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

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