Chemical ID: 7090232

Cc1ccc2nc(c(n2c1)C=O)c3cccc(c3)[N+](=O)[O-]
Chemical ID:
7090232
Name [?]:
4-methyl-8-(3-nitrophenyl)-6,9-diazabicyclo[4.3.0]nona-2,4,7,9-tetraene-7-carbaldehyde
SMILES [?]:
Cc1ccc2nc(c(n2c1)C=O)c3cccc(c3)[N+](=O)[O-]
InChi [?]:
InChI=1/C15H11N3O3/c1-10-5-6-14-16-15(13(9-19)17(14)8-10)11-3-2-4-12(7-11)18(20)21/h2-9H,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,16,3,4,18,10,11,2,13,17,8,5,7,6,9,19,12,20,21/E:(20,21)/CRV:18.5/rA:21nCCCCCNCCNCCOCCCCCCN+OO-/rB:s1;s2;d3;s4;d5;s6;d7;s5s8;d2s9;s8;d11;s7;s13;d14;s15;d16;d13s17;s17;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11N3O3
All Atoms:32
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:3.78636
Area:457.831
Solvation:-7.65942
Coulombic:-31.2886
Bond Count [?]
All:23
Single:14
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:281.266
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.57
LogP (Chemaxon):3.28

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