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Chemical ID: 6987191
Chemical ID:
6987191
Name [?]:
2-(4-chloro-3-methyl-phenoxy)-N-[(2-hydroxy-5-nitro-phenyl)methyleneamino]acetamide
SMILES [?]:
Cc1cc(ccc1Cl)OCC(=O)NN=Cc2cc(ccc2O)[N+](=O)[O-]
InChi [?]:
InChI=1/C16H14ClN3O5/c1-10-6-13(3-4-14(10)17)25-9-16(22)19-18-8-11-7-12(20(23)24)2-5-15(11)21/h2-8,21H,9H2,1H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,19,5,6,20,3,17,15,10,2,16,18,4,7,21,11,8,14,13,23,22,12,24,25,9/E:(23,24)/CRV:20.5/rA:25nCCCCCCCClOCCONNCCCCCCCON+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s4;s9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s21;s18;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14ClN3O5 |
All Atoms: | 39 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 1.79354 |
Area: | 583.211 |
Solvation: | -12.7867 |
Coulombic: | -50.055 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 363.752 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 3.89 |
LogP (Chemaxon): | 3.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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