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Chemical ID: 5327733
Chemical ID:
5327733
Name [?]:
5,5-dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]-imidazolidine-2,4-dione
SMILES [?]:
CC1(C(=O)N(C(=O)N1)c2ccc(c(c2)C(F)(F)F)N(=O)=O)C
InChi [?]:
InChI=1/C12H10F3N3O4/c1-11(2)9(19)17(10(20)16-11)6-3-4-8(18(21)22)7(5-6)12(13,14)15/h3-5H,1-2H3,(H,16,20)
InChi Info:
AuxInfo=1/1/N:1,22,10,11,14,9,13,12,3,6,2,15,16,17,18,8,5,19,4,7,20,21/E:(1,2)(13,14,15)(21,22)/CRV:18.5/rA:22nCCCONCONCCCCCCCFFFNOOC/rB:s1;s2;d3;s3;s5;d6;s2s6;s5;s9;d10;s11;d12;d9s13;s13;s15;s15;s15;s12;d19;d19;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H10F3N3O4 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 1.76974 |
Area: | 436.989 |
Solvation: | -9.15498 |
Coulombic: | -65.2904 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 317.221 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 1.84 |
LogP (Chemaxon): | 2.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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