ChemDB: Chemical Search
Download
Chemical ID: 5839702
Chemical ID:
5839702
Name [?]:
1-methyl-3-phenyl-imidazolidine-2,4,5-trione
SMILES [?]:
CN1C(=O)C(=O)N(C1=O)c2ccccc2
InChi [?]:
InChI=1/C10H8N2O3/c1-11-8(13)9(14)12(10(11)15)7-5-3-2-4-6-7/h2-6H,1H3
InChi Info:
AuxInfo=1/0/N:1,13,12,14,11,15,10,3,5,8,2,7,4,6,9/E:(3,4)(5,6)/rA:15nCNCOCONCOCCCCCC/rB:s1;s2;d3;s3;d5;s5;s2s7;d8;s7;s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H8N2O3 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.90197 |
Area: | 353.808 |
Solvation: | -1.94323 |
Coulombic: | -47.7853 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 204.182 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 0.41 |
LogP (Chemaxon): | 0.96 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|