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Chemical ID: 4974764
Chemical ID:
4974764
Name [?]:
3-ethyl-5-methyl-5-phenyl-imidazolidine-2,4-dione
SMILES [?]:
CCN1C(=O)C(NC1=O)(C)c2ccccc2
InChi [?]:
InChI=1/C12H14N2O2/c1-3-14-10(15)12(2,13-11(14)16)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H,13,16)
InChi Info:
AuxInfo=1/1/N:1,10,2,14,13,15,12,16,11,4,8,6,7,3,5,9/E:(5,6)(7,8)/rA:16cCCNCOCNCOCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s3s7;d8;s6;s6;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H14N2O2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.79469 |
Area: | 386.083 |
Solvation: | -1.8574 |
Coulombic: | -42.1278 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 218.252 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.34 |
LogP (Chemaxon): | 1.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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