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Chemical ID: 5794645

c1ccc(c(c1)C(=O)Oc2ccc(cc2)C=NNC(=O)COc3cccc(c3)Cl)Cl

Chemical ID:

5794645

Name [?]:

[4-[[2-(3-chlorophenoxy)acetyl]aminoiminomethyl]phenyl] 2-chlorobenzoate

SMILES [?]:

c1ccc(c(c1)C(=O)Oc2ccc(cc2)C=NNC(=O)COc3cccc(c3)Cl)Cl

InChi [?]:

InChI=1/C22H16Cl2N2O4/c23-16-4-3-5-18(12-16)29-14-21(27)26-25-13-15-8-10-17(11-9-15)30-22(28)19-6-1-2-7-20(19)24/h1-13H,14H2,(H,26,27)

InChi Info:

AuxInfo=1/1/N:1,2,25,26,24,6,3,12,14,11,15,28,16,21,13,27,10,23,5,4,19,7,29,30,17,18,20,8,22,9/E:(8,9)(10,11)/rA:30nCCCCCCCOOCCCCCCCNNCOCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;w16;s17;s18;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;s27;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₆Cl₂N₂O₄
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	10.5847
Area:	684.11
Solvation:	-6.51811
Coulombic:	-46.7674

Bond Count [?]

All:	32
Single:	20
Double:	12
Rotors:	9
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	443.279
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	6.42
LogP (Chemaxon):	5.28

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