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Chemical ID: 7244681
Chemical ID:
7244681
Name [?]:
5-ethyl-5-(p-tolyl)imidazolidine-2,4-dione
SMILES [?]:
CCC1(C(=O)NC(=O)N1)c2ccc(cc2)C
InChi [?]:
InChI=1/C12H14N2O2/c1-3-12(10(15)13-11(16)14-12)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H2,13,14,15,16)
InChi Info:
AuxInfo=1/1/N:1,16,2,12,14,11,15,13,10,4,7,3,6,9,5,8/E:(4,5)(6,7)/rA:16cCCCCONCONCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s3s7;s3;s10;d11;s12;d13;d10s14;s13;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H14N2O2 |
All Atoms: | 30 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.56152 |
Area: | 385.958 |
Solvation: | -2.08744 |
Coulombic: | -45.4269 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 218.252 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.57 |
LogP (Chemaxon): | 1.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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