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Chemical ID: 5844248
Chemical ID:
5844248
Name [?]:
2-(2,4-dimethylphenoxy)-N-[(3-hydroxy-4-nitro-phenyl)methyleneamino]acetamide
SMILES [?]:
Cc1ccc(c(c1)C)OCC(=O)NN=Cc2ccc(c(c2)O)[N+](=O)[O-]
InChi [?]:
InChI=1/C17H17N3O5/c1-11-3-6-16(12(2)7-11)25-10-17(22)19-18-9-13-4-5-14(20(23)24)15(21)8-13/h3-9,21H,10H2,1-2H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,8,3,17,18,4,7,21,15,10,2,6,16,19,20,5,11,14,13,23,22,12,24,25,9/E:(23,24)/CRV:20.5/rA:25nCCCCCCCCOCCONNCCCCCCCON+OO-/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s20;s19;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17N3O5 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 1.04416 |
Area: | 566.503 |
Solvation: | -13.1184 |
Coulombic: | -50.7864 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 343.334 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 4.35 |
LogP (Chemaxon): | 3.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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