Molecule

ID:91239

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅ClO
Molecular Mass
162.6571
Exact Mass
162.08114278
Charge
0
InChI
InChI=1S/C8H15ClO/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3
InChIKey
PITHYUDHKJKJNQ-UHFFFAOYSA-N
Canonic Smiles
CCCC(C(=O)Cl)CCC
Isomeric Smiles
O=C(C(CCC)CCC)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3317807
LogD (pH = 7.4)
3.3317807
Log P
3.3317807
Molar Refractivity
44.1076
Polarizability
17.397745
Polar Surface Area
17.07
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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