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Chemical ID: 4624615
Chemical ID:
4624615
Name [?]:
4-methyl-2-phenyl-1,2,4-oxadiazolidine-3,5-dione
SMILES [?]:
Cn1c(=O)n(oc1=O)c2ccccc2
InChi [?]:
InChI=1/C9H8N2O3/c1-10-8(12)11(14-9(10)13)7-5-3-2-4-6-7/h2-6H,1H3
InChi Info:
AuxInfo=1/0/N:1,12,11,13,10,14,9,3,7,2,5,4,8,6/E:(3,4)(5,6)/rA:14nCNCONOCOCCCCCC/rB:s1;s2;d3;s3;s5;s2s6;d7;s5;s9;d10;s11;d12;d9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H8N2O3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.24927 |
Area: | 346.041 |
Solvation: | -1.40174 |
Coulombic: | -41.3477 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 192.171 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 0.78 |
LogP (Chemaxon): | 1.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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