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Chemical ID: 4271713
Chemical ID:
4271713
Name [?]:
N'-(2,5-dichlorophenyl)-N-[(2,4-dihydroxyphenyl)methyleneamino]oxamide
SMILES [?]:
c1cc(c(cc1O)O)C=NNC(=O)C(=O)Nc2cc(ccc2Cl)Cl
InChi [?]:
InChI=1/C15H11Cl2N3O4/c16-9-2-4-11(17)12(5-9)19-14(23)15(24)20-18-7-8-1-3-10(21)6-13(8)22/h1-7,21-22H,(H,19,23)(H,20,24)
InChi Info:
AuxInfo=1/1/N:2,20,1,21,18,5,9,3,19,6,22,17,4,14,12,24,23,10,16,11,7,8,15,13/rA:24nCCCCCCOOCNNCOCONCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;w9;s10;s11;d12;s12;d14;s14;s16;s17;d18;s19;d20;d17s21;s22;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H11Cl2N3O4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.59631 |
Area: | 562.146 |
Solvation: | -4.45733 |
Coulombic: | -76.0488 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 368.171 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 7 |
XLogP: | 3.46 |
LogP (Chemaxon): | 2.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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