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Chemical ID: 6647239

Chemical ID:

6647239

Name [?]:

N-(3-chloro-4-methyl-phenyl)-N'-[(4-hydroxyphenyl)methyleneamino]oxamide

SMILES [?]:

Cc1ccc(cc1Cl)NC(=O)C(=O)NN=Cc2ccc(cc2)O

InChi [?]:

InChI=1/C16H14ClN3O3/c1-10-2-5-12(8-14(10)17)19-15(22)16(23)20-18-9-11-3-6-13(21)7-4-11/h2-9,21H,1H3,(H,19,22)(H,20,23)

InChi Info:

AuxInfo=1/1/N:1,3,18,22,4,19,21,6,16,2,17,5,20,7,10,12,8,15,9,14,23,11,13/E:(3,4)(6,7)/rA:23nCCCCCCCClNCOCONNCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₄ClN₃O₃
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	9.78992
Area:	535.506
Solvation:	-3.59773
Coulombic:	-60.7022

Bond Count [?]

All:	24
Single:	15
Double:	9
Rotors:	6
Chiral:	1
Rigid Segments:	5

Chemical Properties

Molecular Weight:	331.753
H-Bond Donors:	3
H-Bond Acceptors:	6
XLogP:	3.47
LogP (Chemaxon):	3.68

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