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Chemical ID: 6631266
Chemical ID:
6631266
Name [?]:
N'-(4-chlorophenyl)-N-[(4-ethoxyphenyl)methyleneamino]oxamide
SMILES [?]:
CCOc1ccc(cc1)C=NNC(=O)C(=O)Nc2ccc(cc2)Cl
InChi [?]:
InChI=1/C17H16ClN3O3/c1-2-24-15-9-3-12(4-10-15)11-19-21-17(23)16(22)20-14-7-5-13(18)6-8-14/h3-11H,2H2,1H3,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,8,20,22,19,23,5,9,10,7,21,18,4,15,13,24,11,17,12,16,14,3/E:(3,4)(5,6)(7,8)(9,10)/rA:24nCCOCCCCCCCNNCOCONCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;s12;d13;s13;d15;s15;s17;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16ClN3O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3322 |
Area: | 570.256 |
Solvation: | -3.92415 |
Coulombic: | -52.3017 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 345.78 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.99 |
LogP (Chemaxon): | 3.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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