Chemical ID: 5844248

Cc1ccc(c(c1)C)OCC(=O)NN=Cc2ccc(c(c2)O)[N+](=O)[O-]
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

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