Chemical ID: 4472351

Cc1ccc(cc1)c2c(=O)n(c3ccccc3[n+]2[O-])OCC=C
Chemical ID:
4472351
Name [?]:
1-allyloxy-4-oxido-3-(p-tolyl)quinoxalin-2-one
SMILES [?]:
Cc1ccc(cc1)c2c(=O)n(c3ccccc3[n+]2[O-])OCC=C
InChi [?]:
InChI=1/C18H16N2O3/c1-3-12-23-20-16-7-5-4-6-15(16)19(22)17(18(20)21)14-10-8-13(2)9-11-14/h3-11H,1,12H2,2H3
InChi Info:
AuxInfo=1/0/N:23,1,22,15,14,16,13,3,7,4,6,21,2,5,17,12,8,9,18,11,10,19,20/E:(8,9)(10,11)/CRV:19.5/rA:23nCCCCCCCCCONCCCCCCN+O-OCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;d8s17;s18;s11;s20;s21;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16N2O3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:4.00153
Area:501.736
Solvation:-8.54187
Coulombic:-38.7704
Bond Count [?]
All:25
Single:16
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:308.331
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.86
LogP (Chemaxon):3.04

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