Chemical ID: 4631361

Cc1cccc(c1)C2=NC(=CC=Cc3ccc(cc3)[N+](=O)[O-])C(=O)O2
Chemical ID:
4631361
Name [?]:
2-(m-tolyl)-4-[3-(4-nitrophenyl)prop-2-enylidene]oxazol-5-one
SMILES [?]:
Cc1cccc(c1)C2=NC(=CC=Cc3ccc(cc3)[N+](=O)[O-])C(=O)O2
InChi [?]:
InChI=1/C19H14N2O4/c1-13-4-2-6-15(12-13)18-20-17(19(22)25-18)7-3-5-14-8-10-16(11-9-14)21(23)24/h2-12H,1H3
InChi Info:
AuxInfo=1/0/N:1,4,12,3,13,5,11,15,19,16,18,7,2,14,6,17,10,8,23,9,20,24,21,22,25/E:(8,9)(10,11)(23,24)/CRV:21.5/rA:25nCCCCCCCCNCCCCCCCCCCN+OO-COO/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s9;w10;s11;w12;s13;s14;d15;s16;d17;d14s18;s17;d20;s20;s10;d23;s8s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H14N2O4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:6.70283
Area:559.619
Solvation:-7.28764
Coulombic:-41.3177
Bond Count [?]
All:27
Single:16
Double:11
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:334.326
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.47
LogP (Chemaxon):4.61

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