Molecule

ID:103108

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁ClO₂
Molecular Mass
150.60334
Exact Mass
150.04475727
Charge
0
InChI
InChI=1S/C6H11ClO2/c1-6(2,3)5(8)9-4-7/h4H2,1-3H3
InChIKey
GGRHYQCXXYLUTL-UHFFFAOYSA-N
Canonic Smiles
ClCOC(=O)C(C)(C)C
Isomeric Smiles
CC(C)(C)C(=O)OCCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3358417
LogD (pH = 7.4)
2.3358417
Log P
2.3358417
Molar Refractivity
35.7546
Polarizability
14.439058
Polar Surface Area
26.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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