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Chemical ID: 6650607

CC(C(=O)NN=Cc1ccc(cc1)OC(=O)c2cccc(c2)Cl)Oc3ccc(cc3Cl)Cl

Chemical ID:

6650607

Name [?]:

[4-[2-(2,4-dichlorophenoxy)propanoylaminoiminomethyl]phenyl] 3-chlorobenzoate

SMILES [?]:

CC(C(=O)NN=Cc1ccc(cc1)OC(=O)c2cccc(c2)Cl)Oc3ccc(cc3Cl)Cl

InChi [?]:

InChI=1/C23H17Cl3N2O4/c1-14(31-21-10-7-18(25)12-20(21)26)22(29)28-27-13-15-5-8-19(9-6-15)32-23(30)16-3-2-4-17(24)11-16/h2-14H,1H3,(H,28,29)

InChi Info:

AuxInfo=1/1/N:1,19,18,20,9,13,27,10,12,26,22,29,7,2,8,17,21,28,11,30,25,3,15,23,32,31,6,5,4,16,24,14/E:(5,6)(8,9)/rA:32cCCCONNCCCCCCCOCOCCCCCCClOCCCCCCClCl/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;d18;s19;d20;d17s21;s21;s2;s24;s25;d26;s27;d28;d25s29;s30;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₁₇Cl₃N₂O₄
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	12.1435
Area:	740.011
Solvation:	-6.3568
Coulombic:	-47.5933

Bond Count [?]

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

Chemical Properties

Molecular Weight:	491.75
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	7.57
LogP (Chemaxon):	6.34

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

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Chemical Mix	Source	External ID	Descriptor	Value