ChemDB: Chemical Search
Download
Chemical ID: 5004139
Chemical ID:
5004139
Name [?]:
1-chloro-4-hexoxy-benzene
SMILES [?]:
CCCCCCOc1ccc(cc1)Cl
InChi [?]:
InChI=1/C12H17ClO/c1-2-3-4-5-10-14-12-8-6-11(13)7-9-12/h6-9H,2-5,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,5,10,12,9,13,6,11,8,14,7/E:(6,7)(8,9)/rA:14nCCCCCCOCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s11;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H17ClO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.9797 |
Area: | 427.485 |
Solvation: | -1.70742 |
Coulombic: | -10.3035 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 212.715 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 5.05 |
LogP (Chemaxon): | 4.31 |
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 |
---|