Chemical ID: 6192959

c1cn2c(cc1=O)C(=O)NCC2
Chemical ID:
6192959
Name [?]:
1,4-diazabicyclo[4.4.0]deca-6,9-diene-5,8-dione
SMILES [?]:
c1cn2c(cc1=O)C(=O)NCC2
InChi [?]:
InChI=1/C8H8N2O2/c11-6-1-3-10-4-2-9-8(12)7(10)5-6/h1,3,5H,2,4H2,(H,9,12)
InChi Info:
AuxInfo=1/1/N:1,11,2,12,5,6,4,8,10,3,7,9/rA:12nCCNCCCOCONCC/rB:d1;s2;s3;d4;s1s5;d6;s4;d8;s8;s10;s3s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H8N2O2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.01644
Area:306.704
Solvation:-2.65115
Coulombic:-35.4301
Bond Count [?]
All:13
Single:9
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:164.161
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:-0.05
LogP (Chemaxon):-0.67

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Descriptor Annotations

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