Chemical ID: 6734879

Cc1cccc(c1)C2=NC(=Cc3ccc[nH+]c3)C(=O)O2
Chemical ID:
6734879
Name [?]:
2-(m-tolyl)-4-(1H-pyridin-5-ylmethylene)oxazol-5-one
SMILES [?]:
Cc1cccc(c1)C2=NC(=Cc3ccc[nH+]c3)C(=O)O2
InChi [?]:
InChI=1/C16H12N2O2/c1-11-4-2-6-13(8-11)15-18-14(16(19)20-15)9-12-5-3-7-17-10-12/h2-10H,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,4,14,3,13,5,15,7,11,17,2,12,6,10,8,18,16,9,19,20/rA:20nCCCCCCCCNCCCCCCN+CCOO/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s9;w10;s11;s12;d13;s14;d15;d12s16;s10;d18;s8s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13N2O2+
All Atoms:33
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:-23.8364
Area:452.381
Solvation:-35.146
Coulombic:-17.8879
Bond Count [?]
All:22
Single:13
Double:9
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:265.287
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.96
LogP (Chemaxon):2.81

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