Molecule

ID:85805

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇ClO₃
Molecular Mass
220.69318
Exact Mass
220.08662208
Charge
0
InChI
InChI=1S/C10H17ClO3/c1-14-10(13)8-6-4-2-3-5-7-9(11)12/h2-8H2,1H3
InChIKey
LIZJAMAJAXTVJS-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCCCCCCC(=O)Cl
Isomeric Smiles
O=C(Cl)CCCCCCCC(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5035841
LogD (pH = 7.4)
2.5035841
Log P
2.5035841
Molar Refractivity
55.1696
Polarizability
21.903996
Polar Surface Area
43.37
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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