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Chemical ID: 5792739
Chemical ID:
5792739
Name [?]:
N-(5-chloro-2-methyl-phenyl)-N'-[(2-chlorophenyl)methyleneamino]oxamide
SMILES [?]:
Cc1ccc(cc1NC(=O)C(=O)NN=Cc2ccccc2Cl)Cl
InChi [?]:
InChI=1/C16H13Cl2N3O2/c1-10-6-7-12(17)8-14(10)20-15(22)16(23)21-19-9-11-4-2-3-5-13(11)18/h2-9H,1H3,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,18,19,17,20,3,4,6,15,2,16,5,21,7,9,11,23,22,14,8,13,10,12/rA:23nCCCCCCCNCOCONNCCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s21;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13Cl2N3O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3278 |
Area: | 551.699 |
Solvation: | -2.46464 |
Coulombic: | -46.113 |
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: | 4.5 |
LogP (Chemaxon): | 3.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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