Chemical ID: 6669615

c1ccc(cc1)n2c(=O)cc3n(c2=O)CCN3
Chemical ID:
6669615
Name [?]:
4-phenyl-4,6,9-triazabicyclo[4.3.0]non-1-ene-3,5-dione
SMILES [?]:
c1ccc(cc1)n2c(=O)cc3n(c2=O)CCN3
InChi [?]:
InChI=1/C12H11N3O2/c16-11-8-10-13-6-7-14(10)12(17)15(11)9-4-2-1-3-5-9/h1-5,8,13H,6-7H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,16,15,10,4,11,8,13,17,12,7,9,14/E:(2,3)(4,5)/rA:17nCCCCCCNCOCCNCOCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;d10;s11;s7s12;d13;s12;s15;s11s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H11N3O2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.10045
Area:385.846
Solvation:-2.54572
Coulombic:-45.7135
Bond Count [?]
All:19
Single:13
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:229.235
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.9
LogP (Chemaxon):0.99

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Descriptor Annotations

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