Molecule

ID:85109

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)4(7)5(8)9/h4H,1-3H3,(H,8,9)/t4-/m1/s1
InChIKey
MRMBZUFUXAUVPR-SCSAIBSYSA-N
Canonic Smiles
Cl[C@@H](C(C)(C)C)C(=O)O
Isomeric Smiles
O=C([C@H](C(C)(C)C)Cl)O
Calculated Properties
JChem
Acid pKa
4.132885
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.76586145
LogD (pH = 7.4)
-0.929721
Log P
2.1482584
Molar Refractivity
35.2845
Polarizability
14.197819
Polar Surface Area
37.3
Rotatable Bonds
2
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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