Molecule

ID:69732

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂Cl₂O
Molecular Mass
183.07558
Exact Mass
182.02652036
Charge
0
InChI
InChI=1S/C7H12Cl2O/c8-5-1-3-7(10)4-2-6-9/h1-6H2
InChIKey
SCKUIKDAPAUGBE-UHFFFAOYSA-N
Canonic Smiles
ClCCCC(=O)CCCCl
Isomeric Smiles
C(CCC(=O)CCCCl)Cl
Calculated Properties
JChem
Acid pKa
19.26746
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.2323153
LogD (pH = 7.4)
2.2323153
Log P
2.2323153
Molar Refractivity
44.61
Polarizability
17.403248
Polar Surface Area
17.07
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
暂无数据
点击上传数据
References
Bioactivity
Navigation