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Chemical ID: 6631074
Chemical ID:
6631074
Name [?]:
N'-(3-chloro-2-methyl-phenyl)-N-(p-tolylmethyleneamino)oxamide
SMILES [?]:
Cc1ccc(cc1)C=NNC(=O)C(=O)Nc2cccc(c2C)Cl
InChi [?]:
InChI=1/C17H16ClN3O2/c1-11-6-8-13(9-7-11)10-19-21-17(23)16(22)20-15-5-3-4-14(18)12(15)2/h3-10H,1-2H3,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,22,18,19,17,3,7,4,6,8,2,21,5,20,16,13,11,23,9,15,10,14,12/E:(6,7)(8,9)/rA:23nCCCCCCCCNNCOCONCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;s10;d11;s11;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16ClN3O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9052 |
Area: | 538.732 |
Solvation: | -2.56309 |
Coulombic: | -45.8108 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 329.781 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.31 |
LogP (Chemaxon): | 3.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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