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Chemical ID: 6631308

c1ccc(cc1)Oc2cccc(c2)C=NNC(=O)C(=O)Nc3ccc(cc3)Cl

Chemical ID:

6631308

Name [?]:

N'-(4-chlorophenyl)-N-[(3-phenoxyphenyl)methyleneamino]oxamide

SMILES [?]:

c1ccc(cc1)Oc2cccc(c2)C=NNC(=O)C(=O)Nc3ccc(cc3)Cl

InChi [?]:

InChI=1/C21H16ClN3O3/c22-16-9-11-17(12-10-16)24-20(26)21(27)25-23-14-15-5-4-8-19(13-15)28-18-6-2-1-3-7-18/h1-14H,(H,24,26)(H,25,27)

InChi Info:

AuxInfo=1/1/N:1,2,6,10,11,3,5,9,24,26,23,27,13,14,12,25,22,4,8,19,17,28,15,21,16,20,18,7/E:(2,3)(6,7)(9,10)(11,12)/rA:28nCCCCCCOCCCCCCCNNCOCONCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s12;w14;s15;s16;d17;s17;d19;s19;s21;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₁₆ClN₃O₃
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	11.7795
Area:	620.573
Solvation:	-3.73483
Coulombic:	-53.9366

Bond Count [?]

All:	30
Single:	18
Double:	12
Rotors:	8
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	393.823
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	5.13
LogP (Chemaxon):	4.93

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value