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Chemical ID: 4555978
Chemical ID:
4555978
Name [?]:
3,6-diazabicyclo[4.3.0]nonane-2,5-dione
SMILES [?]:
C1CC2C(=O)NCC(=O)N2C1
InChi [?]:
InChI=1/C7H10N2O2/c10-6-4-8-7(11)5-2-1-3-9(5)6/h5H,1-4H2,(H,8,11)
InChi Info:
AuxInfo=1/1/N:1,2,11,7,3,8,4,6,10,9,5/rA:11cCCCCONCCONC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s3s8;s1s10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H10N2O2 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 4.73973 |
Area: | 292.043 |
Solvation: | -2.56135 |
Coulombic: | -36.6707 |
Bond Count [?]
All: | 12 |
Single: | 10 |
Double: | 2 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 154.167 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | -0.9 |
LogP (Chemaxon): | -1.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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