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Chemical ID: 5783364

Chemical ID:

5783364

Name [?]:

4-[[2-(4-chlorophenoxy)acetyl]aminoiminomethyl]benzoic acid

SMILES [?]:

c1cc(ccc1C=NNC(=O)COc2ccc(cc2)Cl)C(=O)O

InChi [?]:

InChI=1/C16H13ClN2O4/c17-13-5-7-14(8-6-13)23-10-15(20)19-18-9-11-1-3-12(4-2-11)16(21)22/h1-9H,10H2,(H,19,20)(H,21,22)

InChi Info:

AuxInfo=1/1/N:1,5,2,4,16,18,15,19,7,12,6,3,17,14,10,21,20,8,9,11,22,23,13/E:(1,2)(3,4)(5,6)(7,8)(21,22)/rA:23nCCCCCCCNNCOCOCCCCCCClCOO/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;s3;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₃ClN₂O₄
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	7.55474
Area:	554.323
Solvation:	-6.30332
Coulombic:	-53.4727

Bond Count [?]

All:	24
Single:	15
Double:	9
Rotors:	7
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	332.738
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	3.91
LogP (Chemaxon):	3.05

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value