Chemical ID: 3967820

CC1(C(=O)N(C(=O)N1)c2ccc(c(c2)C(F)(F)F)[N+](=O)[O-])C
Chemical ID:
3967820
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:22nCCCONCONCCCCCCCFFFN+OO-C/rB:s1;s2;d3;s3;s5;d6;s2s6;s5;s9;d10;s11;d12;d9s13;s13;s15;s15;s15;s12;d19;s19;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:17
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:317.221
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:1.72
LogP (Chemaxon):2.16

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Descriptor Annotations

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