Chemical ID: 7090234

Cc1ccn2c(c1)nc(c2C=O)c3cccc(c3)[N+](=O)[O-]
Chemical ID:
7090234
Name [?]:
4-methyl-8-(3-nitrophenyl)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene-9-carbaldehyde
SMILES [?]:
Cc1ccn2c(c1)nc(c2C=O)c3cccc(c3)[N+](=O)[O-]
InChi [?]:
InChI=1/C15H11N3O3/c1-10-5-6-17-13(9-19)15(16-14(17)7-10)11-3-2-4-12(8-11)18(20)21/h2-9H,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,16,3,4,7,18,11,2,13,17,10,6,9,8,5,19,12,20,21/E:(20,21)/CRV:18.5/rA:21nCCCCNCCNCCCOCCCCCCN+OO-/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;s5d9;s10;d11;s9;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:3.79682
Area:459.456
Solvation:-7.68958
Coulombic:-31.2323
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:2.78
LogP (Chemaxon):3.28

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