Molecule

ID:123370

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉ClO
Molecular Mass
190.71026
Exact Mass
190.11244291
Charge
0
InChI
InChI=1S/C10H19ClO/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3
InChIKey
IPIVAXLHTVNRBS-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCC(=O)Cl
Isomeric Smiles
C(=O)(Cl)CCCCCCCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.1225004
LogD (pH = 7.4)
4.1225004
Log P
4.1225004
Molar Refractivity
53.3361
Polarizability
21.0741
Polar Surface Area
17.07
Rotatable Bonds
8
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