ChemDB: Chemical Search
Download
Chemical ID: 6715100
Chemical ID:
6715100
Name [?]:
4-chloro-2-(4-methoxyphenyl)-pyrimidine
SMILES [?]:
COc1ccc(cc1)c2nccc(n2)Cl
InChi [?]:
InChI=1/C11H9ClN2O/c1-15-9-4-2-8(3-5-9)11-13-7-6-10(12)14-11/h2-7H,1H3
InChi Info:
AuxInfo=1/0/N:1,5,7,4,8,12,11,6,3,13,9,15,10,14,2/E:(2,3)(4,5)/rA:15nCOCCCCCCCNCCCNCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d12;d9s13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H9ClN2O |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.31907 |
Area: | 393.42 |
Solvation: | -2.51643 |
Coulombic: | -19.6497 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 220.655 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.38 |
LogP (Chemaxon): | 2.59 |
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 |
---|