Chemical ID: 4638009

c1ccc2c(c1)C(=O)NCC(=O)N2
Chemical ID:
4638009
Name [?]:
2,5-diazabicyclo[5.4.0]undeca-8,10,12-triene-3,6-dione
SMILES [?]:
c1ccc2c(c1)C(=O)NCC(=O)N2
InChi [?]:
InChI=1/C9H8N2O2/c12-8-5-10-9(13)6-3-1-2-4-7(6)11-8/h1-4H,5H2,(H,10,13)(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,10,5,4,11,7,9,13,12,8/rA:13nCCCCCCCONCCON/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s4s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H8N2O2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:5.5091
Area:320.12
Solvation:-2.49391
Coulombic:-42.2953
Bond Count [?]
All:14
Single:9
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:176.172
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:0.14
LogP (Chemaxon):0.63

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