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Chemical ID: 5599412

Chemical ID:

5599412

Name [?]:

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

SMILES [?]:

Cc1cc(ccc1OCC(=O)NN=Cc2ccc(cc2)O)Cl

InChi [?]:

InChI=1/C16H15ClN2O3/c1-11-8-13(17)4-7-15(11)22-10-16(21)19-18-9-12-2-5-14(20)6-3-12/h2-9,20H,10H2,1H3,(H,19,21)

InChi Info:

AuxInfo=1/1/N:1,16,20,5,17,19,6,3,14,9,2,15,4,18,7,10,22,13,12,21,11,8/E:(2,3)(5,6)/rA:22nCCCCCCCOCCONNCCCCCCCOCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₅ClN₂O₃
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	7.0291
Area:	533.915
Solvation:	-6.31879
Coulombic:	-41.6541

Bond Count [?]

All:	23
Single:	15
Double:	8
Rotors:	6
Chiral:	1
Rigid Segments:	5

Chemical Properties

Molecular Weight:	318.755
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	4.12
LogP (Chemaxon):	3.72

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