Chemical ID: 5783335

Cc1ccccc1OCC(=O)NN=Cc2ccc(c(c2)O)[N+](=O)[O-]
Chemical ID:
5783335
Name [?]:
N-[(3-hydroxy-4-nitro-phenyl)methyleneamino]-2-(2-methylphenoxy)-acetamide
SMILES [?]:
Cc1ccccc1OCC(=O)NN=Cc2ccc(c(c2)O)[N+](=O)[O-]
InChi [?]:
InChI=1/C16H15N3O5/c1-11-4-2-3-5-15(11)24-10-16(21)18-17-9-12-6-7-13(19(22)23)14(20)8-12/h2-9,20H,10H2,1H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,4,5,3,6,16,17,20,14,9,2,15,18,19,7,10,13,12,22,21,11,23,24,8/E:(22,23)/CRV:19.5/rA:24nCCCCCCCOCCONNCCCCCCCON+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s19;s18;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15N3O5
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:0.411298
Area:541.63
Solvation:-13.1295
Coulombic:-51.0172
Bond Count [?]
All:25
Single:16
Double:9
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:329.308
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:3.91
LogP (Chemaxon):3.15

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