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Chemical ID: 5586116
Chemical ID:
5586116
Name [?]:
N,N'-bis[(2-hydroxyphenyl)methyleneamino]oxamide
SMILES [?]:
c1ccc(c(c1)C=NNC(=O)C(=O)NN=Cc2ccccc2O)O
InChi [?]:
InChI=1/C16H14N4O4/c21-13-7-3-1-5-11(13)9-17-19-15(23)16(24)20-18-10-12-6-2-4-8-14(12)22/h1-10,21-22H,(H,19,23)(H,20,24)
InChi Info:
AuxInfo=1/1/N:1,19,2,20,6,18,3,21,7,16,5,17,4,22,10,12,8,15,9,14,24,23,11,13/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)/gE:(1,2)/rA:24nCCCCCCCNNCOCONNCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s10;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s22;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14N4O4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.36433 |
Area: | 536.648 |
Solvation: | -5.05187 |
Coulombic: | -74.751 |
Bond Count [?]
All: | 25 |
Single: | 15 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 2 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 326.307 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 8 |
XLogP: | 3.21 |
LogP (Chemaxon): | 2.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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