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Chemical ID: 6046662
Chemical ID:
6046662
Name [?]:
5-ethyl-5-(4-hydroxyphenyl)-3-methyl-imidazolidine-2,4-dione
SMILES [?]:
CCC1(C(=O)N(C(=O)N1)C)c2ccc(cc2)O
InChi [?]:
InChI=1/C12H14N2O3/c1-3-12(8-4-6-9(15)7-5-8)10(16)14(2)11(17)13-12/h4-7,15H,3H2,1-2H3,(H,13,17)
InChi Info:
AuxInfo=1/1/N:1,10,2,12,16,13,15,11,14,4,7,3,9,6,17,5,8/E:(4,5)(6,7)/rA:17cCCCCONCONCCCCCCCO/rB:s1;s2;s3;d4;s4;s6;d7;s3s7;s6;s3;s11;d12;s13;d14;d11s15;s14;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H14N2O3 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.98486 |
Area: | 399.972 |
Solvation: | -3.01444 |
Coulombic: | -56.9661 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 234.251 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 0.87 |
LogP (Chemaxon): | 1.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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