ChemDB: Chemical Search
Download
Chemical ID: 6498307
Chemical ID:
6498307
Name [?]:
5-[[4-[(2,5-dioxoimidazolidin-4-ylidene)methyl]phenyl]methylene]imidazolidine-2,4-dione
SMILES [?]:
c1cc(ccc1C=C2C(=O)NC(=O)N2)C=C3C(=O)NC(=O)N3
InChi [?]:
InChI=1/C14H10N4O4/c19-11-9(15-13(21)17-11)5-7-1-2-8(4-3-7)6-10-12(20)18-14(22)16-10/h1-6H,(H2,15,17,19,21)(H2,16,18,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,5,4,7,15,6,3,8,16,9,17,12,20,14,22,11,19,10,18,13,21/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)/gE:(1,2)/rA:22nCCCCCCCCCONCONCCCONCON/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;d9;s9;s11;d12;s8s12;s3;w15;s16;d17;s17;s19;d20;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H10N4O4 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.6408 |
Area: | 465.885 |
Solvation: | -4.00632 |
Coulombic: | -86.5016 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 2 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 298.254 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 8 |
XLogP: | 0.13 |
LogP (Chemaxon): | -0.38 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|