Chemical ID: 4665070

c1ccc2c(c1)C(=O)C(=Cc3ccncc3)C2=O
Chemical ID:
4665070
Name [?]:
2-(4-pyridylmethylene)indane-1,3-dione
SMILES [?]:
c1ccc2c(c1)C(=O)C(=Cc3ccncc3)C2=O
InChi [?]:
InChI=1/C15H9NO2/c17-14-11-3-1-2-4-12(11)15(18)13(14)9-10-5-7-16-8-6-10/h1-9H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,12,16,13,15,10,11,5,4,9,7,17,14,8,18/E:(1,2)(3,4)(5,6)(7,8)(11,12)(14,15)(17,18)/rA:18nCCCCCCCOCCCCCNCCCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;d9;s10;s11;d12;s13;d14;d11s15;s4s9;d17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H9NO2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.05565
Area:404.137
Solvation:-3.04777
Coulombic:-21.6449
Bond Count [?]
All:20
Single:11
Double:9
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:235.238
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.05
LogP (Chemaxon):2.02

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Descriptor Annotations

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