ChemDB: Chemical Search
Download
Chemical ID: 6492982
Chemical ID:
6492982
Name [?]:
(2-chlorophenyl) hexanoate
SMILES [?]:
CCCCCC(=O)Oc1ccccc1Cl
InChi [?]:
InChI=1/C12H15ClO2/c1-2-3-4-9-12(14)15-11-8-6-5-7-10(11)13/h5-8H,2-4,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,12,11,13,10,5,14,9,6,15,7,8/rA:15nCCCCCCOOCCCCCCCl/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H15ClO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.38735 |
Area: | 424.888 |
Solvation: | -1.23485 |
Coulombic: | -21.0774 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 226.699 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.39 |
LogP (Chemaxon): | 3.88 |
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 |
---|