Chemical ID: 6699333

Cc1ccc(cc1)OCC(=O)NN=Cc2cc(ccc2[N+](=O)[O-])[O-]
Chemical ID:
6699333
Name [?]:
3-[[2-(4-methylphenoxy)acetyl]aminoiminomethyl]-4-nitro-phenolate
SMILES [?]:
Cc1ccc(cc1)OCC(=O)NN=Cc2cc(ccc2[N+](=O)[O-])[O-]
InChi [?]:
InChI=1/C16H15N3O5/c1-11-2-5-14(6-3-11)24-10-16(21)18-17-9-12-8-13(20)4-7-15(12)19(22)23/h2-9,20H,10H2,1H3,(H,18,21)/p-1
InChi Info:
AuxInfo=1/1/N:1,3,7,18,4,6,19,16,14,9,2,15,17,5,20,10,13,12,21,24,11,22,23,8/E:(2,3)(5,6)(22,23)/CRV:19.5/rA:24nCCCCCCCOCCONNCCCCCCCN+OO-O-/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s20;d21;s21;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14N3O5-
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:-30.3806
Area:542.058
Solvation:-43.932
Coulombic:-31.9467
Bond Count [?]
All:25
Single:16
Double:9
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:328.3
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:3.48
LogP (Chemaxon):3.15

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