ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 6500287

Chemical ID:

6500287

Name [?]:

N-(3-chloro-2-methyl-phenyl)-N'-[(2-methoxyphenyl)methyleneamino]oxamide

SMILES [?]:

Cc1c(cccc1Cl)NC(=O)C(=O)NN=Cc2ccccc2OC

InChi [?]:

InChI=1/C17H16ClN3O3/c1-11-13(18)7-5-8-14(11)20-16(22)17(23)21-19-10-12-6-3-4-9-15(12)24-2/h3-10H,1-2H3,(H,20,22)(H,21,23)

InChi Info:

AuxInfo=1/1/N:1,24,19,20,5,18,6,4,21,16,2,17,7,3,22,10,12,8,15,9,14,11,13,23/rA:24nCCCCCCCClNCOCONNCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;d10;s10;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₆ClN₃O₃
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	10.2129
Area:	550.602
Solvation:	-3.55219
Coulombic:	-52.8806

Bond Count [?]

All:	25
Single:	16
Double:	9
Rotors:	7
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	345.78
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	3.79
LogP (Chemaxon):	3.06

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