Chemical ID: 4665621

c1ccc2c(c1)C(=O)C(=Cc3ccncc3)O2
Chemical ID:
4665621
Name [?]:
2-(4-pyridylmethylene)benzofuran-3-one
SMILES [?]:
c1ccc2c(c1)C(=O)C(=Cc3ccncc3)O2
InChi [?]:
InChI=1/C14H9NO2/c16-14-11-3-1-2-4-12(11)17-13(14)9-10-5-7-15-8-6-10/h1-9H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,12,16,13,15,10,11,5,4,9,7,14,8,17/E:(5,6)(7,8)/rA:17nCCCCCCCOCCCCCNCCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;w9;s10;s11;d12;s13;d14;d11s15;s4s9;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H9NO2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.14632
Area:386.872
Solvation:-2.52548
Coulombic:-22.8183
Bond Count [?]
All:19
Single:11
Double:8
Rotors:1
Chiral:1
Rigid Segments:2
Chemical Properties
Molecular Weight:223.227
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.38
LogP (Chemaxon):2.02

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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