Molecule

ID:88906

General Information
Structure
MolImage
Molecular Formula
C₄H₉ClO
Molecular Mass
108.56666
Exact Mass
108.03419259
Charge
0
InChI
InChI=1S/C4H9ClO/c1-4(2,6)3-5/h6H,3H2,1-2H3
InChIKey
JNOZGFXJZQXOSU-UHFFFAOYSA-N
Canonic Smiles
ClCC(O)(C)C
Isomeric Smiles
ClCC(C)(C)O
Calculated Properties
JChem
Acid pKa
14.535249
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.8430645
LogD (pH = 7.4)
0.8430644
Log P
0.8430645
Molar Refractivity
26.6616
Polarizability
10.575196
Polar Surface Area
20.23
Rotatable Bonds
1
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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