Chemical ID: 6740321

c1ccc2c(c1)cccc2C3=NC(=Cc4ccc[nH+]c4)C(=O)O3
Chemical ID:
6740321
Name [?]:
2-(1-naphthyl)-4-(1H-pyridin-5-ylmethylene)oxazol-5-one
SMILES [?]:
c1ccc2c(c1)cccc2C3=NC(=Cc4ccc[nH+]c4)C(=O)O3
InChi [?]:
InChI=1/C19H12N2O2/c22-19-17(11-13-5-4-10-20-12-13)21-18(23-19)16-9-3-7-14-6-1-2-8-15(14)16/h1-12H/p+1
InChi Info:
AuxInfo=1/1/N:1,2,8,17,16,6,7,3,9,18,14,20,15,5,4,10,13,11,21,19,12,22,23/rA:23nCCCCCCCCCCCNCCCCCCN+CCOO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s12;w13;s14;s15;d16;s17;d18;d15s19;s13;d21;s11s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H13N2O2+
All Atoms:36
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:-23.2319
Area:483.388
Solvation:-35.3166
Coulombic:-18.8611
Bond Count [?]
All:26
Single:15
Double:11
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:301.319
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.79
LogP (Chemaxon):3.35

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