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Chemical ID: 5010685
Chemical ID:
5010685
Name [?]:
4-acetyl-2,4-diazaspiro[4.4]nonane-1,3-dione
SMILES [?]:
CC(=O)N1C(=O)NC(=O)C12CCCC2
InChi [?]:
InChI=1/C9H12N2O3/c1-6(12)11-8(14)10-7(13)9(11)4-2-3-5-9/h2-5H2,1H3,(H,10,13,14)
InChi Info:
AuxInfo=1/1/N:1,12,13,11,14,2,8,5,10,7,4,3,9,6/E:(2,3)(4,5)/rA:14nCCONCONCOCCCCC/rB:s1;d2;s2;s4;d5;s5;s7;d8;s4s8;s10;s11;s12;s10s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H12N2O3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.23784 |
Area: | 334.935 |
Solvation: | -2.13554 |
Coulombic: | -46.8851 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 196.203 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | -0.29 |
LogP (Chemaxon): | -0.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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