Molecule

ID:10005

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁ClO₃
Molecular Mass
178.61344
Exact Mass
178.03967189
Charge
0
InChI
InChI=1S/C7H11ClO3/c1-11-7(10)5-3-2-4-6(8)9/h2-5H2,1H3
InChIKey
HDLGIEZOMYJKAK-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCCCC(=O)Cl
Isomeric Smiles
C(=O)(Cl)CCCCC(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.169878
LogD (pH = 7.4)
1.169878
Log P
1.169878
Molar Refractivity
41.3666
Polarizability
16.437155
Polar Surface Area
43.37
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation