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Chemical ID: 4165154
Chemical ID:
4165154
Name [?]:
6,10-diazabicyclo[4.4.0]deca-2,4,10-triene-7,9-dione
SMILES [?]:
C1C(=O)N=C2C=CC=CN2C1=O
InChi [?]:
InChI=1/C8H6N2O2/c11-7-5-8(12)10-4-2-1-3-6(10)9-7/h1-4H,5H2
InChi Info:
AuxInfo=1/0/N:7,8,6,9,1,5,2,11,4,10,3,12/rA:12nCCONCCCCCNCO/rB:s1;d2;s2;d4;s5;d6;s7;d8;s5s9;s1s10;d11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H6N2O2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.13346 |
Area: | 304.603 |
Solvation: | -2.48162 |
Coulombic: | -28.4824 |
Bond Count [?]
All: | 13 |
Single: | 8 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 162.146 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | -0.86 |
LogP (Chemaxon): | -0.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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