Chemical ID: 6491076

c1ccc2c(c1)c(=O)c(=Nc3ccccn3)c2=O
Chemical ID:
6491076
Name [?]:
2-(2-pyridylimino)indane-1,3-dione
SMILES [?]:
c1ccc2c(c1)c(=O)c(=Nc3ccccn3)c2=O
InChi [?]:
InChI=1/C14H8N2O2/c17-13-9-5-1-2-6-10(9)14(18)12(13)16-11-7-3-4-8-15-11/h1-8H
InChi Info:
AuxInfo=1/0/N:1,2,13,14,6,3,12,15,5,4,11,9,7,17,16,10,8,18/E:(1,2)(5,6)(9,10)(13,14)(17,18)/rA:18nCCCCCCCOCNCCCCCNCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;d9;s10;s11;d12;s13;d14;d11s15;s4s9;d17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H8N2O2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:6.91023
Area:405.401
Solvation:-3.22479
Coulombic:-28.3885
Bond Count [?]
All:20
Single:11
Double:9
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:236.226
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.92
LogP (Chemaxon):2.23

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Descriptor Annotations

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