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Chemical ID: 6192959
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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