ChemDB: Chemical Search
Download
Chemical ID: 7194374
Chemical ID:
7194374
Name [?]:
1-(4-chlorophenyl)-2,4,6-trioxo-hexahydropyrimidine-5-carbaldehyde
SMILES [?]:
c1cc(ccc1N2C(=O)C(C(=O)NC2=O)C=O)Cl
InChi [?]:
InChI=1/C11H7ClN2O4/c12-6-1-3-7(4-2-6)14-10(17)8(5-15)9(16)13-11(14)18/h1-5,8H,(H,13,16,18)
InChi Info:
AuxInfo=1/1/N:2,4,1,5,16,3,6,10,11,8,14,18,13,7,17,12,9,15/E:(1,2)(3,4)/rA:18cCCCCCCNCOCCONCOCOCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;d11;s11;s7s13;d14;s10;d16;s3;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H7ClN2O4 |
All Atoms: | 25 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.79418 |
Area: | 426.436 |
Solvation: | -4.86672 |
Coulombic: | -50.0956 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 266.637 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 0.45 |
LogP (Chemaxon): | 0.55 |
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 |
---|