Chemical ID: 4105610

Cc1cc(c(n1c2ccncc2)C)C=C3C(=O)c4ccccc4C3=O
Chemical ID:
4105610
Name [?]:
2-[[2,5-dimethyl-1-(4-pyridyl)pyrrol-3-yl]methylene]indane-1,3-dione
SMILES [?]:
Cc1cc(c(n1c2ccncc2)C)C=C3C(=O)c4ccccc4C3=O
InChi [?]:
InChI=1/C21H16N2O2/c1-13-11-15(14(2)23(13)16-7-9-22-10-8-16)12-19-20(24)17-5-3-4-6-18(17)21(19)25/h3-12H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,20,21,19,22,8,12,9,11,3,14,2,5,4,7,18,23,15,16,24,10,6,17,25/E:(3,4)(5,6)(7,8)(9,10)(17,18)(20,21)(24,25)/rA:25nCCCCCNCCCNCCCCCCOCCCCCCCO/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s9;d10;d7s11;s5;s4;d14;s15;d16;s16;s18;d19;s20;d21;d18s22;s15s23;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H16N2O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.75377
Area:528.175
Solvation:-3.4506
Coulombic:-25.9437
Bond Count [?]
All:28
Single:17
Double:11
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:328.364
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.1
LogP (Chemaxon):2.72

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Descriptor Annotations

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