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Chemical ID: 4221603
Chemical ID:
4221603
Name [?]:
1-(4-methoxyphenyl)imidazolidine-2,4-dione
SMILES [?]:
COc1ccc(cc1)N2CC(=O)NC2=O
InChi [?]:
InChI=1/C10H10N2O3/c1-15-8-4-2-7(3-5-8)12-6-9(13)11-10(12)14/h2-5H,6H2,1H3,(H,11,13,14)
InChi Info:
AuxInfo=1/1/N:1,5,7,4,8,10,6,3,11,14,13,9,12,15,2/E:(2,3)(4,5)/rA:15nCOCCCCCCNCCONCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s9s13;d14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H10N2O3 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.57695 |
Area: | 367.469 |
Solvation: | -3.60976 |
Coulombic: | -44.6786 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 206.198 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 0.31 |
LogP (Chemaxon): | 0.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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