Molecule

ID:80430

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃ClO₂
Molecular Mass
164.62992
Exact Mass
164.06040734
Charge
0
InChI
InChI=1S/C7H13ClO2/c1-7(9)10-6-4-2-3-5-8/h2-6H2,1H3
InChIKey
ZCYVIAZIVJNAMO-UHFFFAOYSA-N
Canonic Smiles
ClCCCCCOC(=O)C
Isomeric Smiles
O=C(OCCCCCCl)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.6089293
LogD (pH = 7.4)
1.6089293
Log P
1.6089293
Molar Refractivity
40.8671
Polarizability
16.255007
Polar Surface Area
26.3
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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