Chemical ID: 6987191

Cc1cc(ccc1Cl)OCC(=O)NN=Cc2cc(ccc2O)[N+](=O)[O-]
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

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