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Chemical ID: 6500325
Chemical ID:
6500325
Name [?]:
N-(3-chloro-2-methyl-phenyl)-N'-[(4-chlorophenyl)methyleneamino]oxamide
SMILES [?]:
Cc1c(cccc1Cl)NC(=O)C(=O)NN=Cc2ccc(cc2)Cl
InChi [?]:
InChI=1/C16H13Cl2N3O2/c1-10-13(18)3-2-4-14(10)20-15(22)16(23)21-19-9-11-5-7-12(17)8-6-11/h2-9H,1H3,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,18,22,19,21,16,2,17,20,7,3,10,12,23,8,15,9,14,11,13/E:(5,6)(7,8)/rA:23nCCCCCCCClNCOCONNCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;d10;s10;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13Cl2N3O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.209 |
Area: | 551.954 |
Solvation: | -2.58983 |
Coulombic: | -46.0249 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 350.199 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.49 |
LogP (Chemaxon): | 3.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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