Molecule

ID:56839

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇ClO₃
Molecular Mass
268.73598
Exact Mass
268.08662208
Charge
0
InChI
InChI=1S/C14H17ClO3/c1-2-17-13-9-10(14(15)16)7-8-12(13)18-11-5-3-4-6-11/h7-9,11H,2-6H2,1H3
InChIKey
HWZJYJRYGDAKNY-UHFFFAOYSA-N
Canonic Smiles
CCOc1cc(ccc1OC1CCCC1)C(=O)Cl
Isomeric Smiles
c1cc(cc(c1OC1CCCC1)OCC)C(=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.5603256
LogD (pH = 7.4)
3.5603256
Log P
3.5603256
Molar Refractivity
71.2609
Polarizability
27.608604
Polar Surface Area
35.53
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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