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Chemical ID: 6393254

Chemical ID:

6393254

Name [?]:

2-(4-chloro-2-methyl-phenoxy)-N-[1-(4-hydroxyphenyl)ethylideneamino]acetamide

SMILES [?]:

Cc1cc(ccc1OCC(=O)NN=C(C)c2ccc(cc2)O)Cl

InChi [?]:

InChI=1/C17H17ClN2O3/c1-11-9-14(18)5-8-16(11)23-10-17(22)20-19-12(2)13-3-6-15(21)7-4-13/h3-9,21H,10H2,1-2H3,(H,20,22)

InChi Info:

AuxInfo=1/1/N:1,15,17,21,5,18,20,6,3,9,2,14,16,4,19,7,10,23,13,12,22,11,8/E:(3,4)(6,7)/rA:23nCCCCCCCOCCONNCCCCCCCCOCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;w13;s14;s14;s16;d17;s18;d19;d16s20;s19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₇ClN₂O₃
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	7.76296
Area:	563.437
Solvation:	-6.32296
Coulombic:	-41.687

Bond Count [?]

All:	24
Single:	16
Double:	8
Rotors:	6
Chiral:	1
Rigid Segments:	5

Chemical Properties

Molecular Weight:	332.781
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	4.26
LogP (Chemaxon):	3.35

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