Molecule

ID:88386

General Information
Structure
MolImage
Molecular Formula
C₄H₅ClO
Molecular Mass
104.5349
Exact Mass
104.00289246
Charge
0
InChI
InChI=1S/C4H5ClO/c5-3-1-2-4-6/h6H,3-4H2
InChIKey
RPUJAOFSZSEVPC-UHFFFAOYSA-N
Canonic Smiles
OCC#CCCl
Isomeric Smiles
ClCC#CCO
Calculated Properties
JChem
Acid pKa
14.2884655
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.61975676
LogD (pH = 7.4)
0.6197567
Log P
0.61975676
Molar Refractivity
26.168
Polarizability
9.503427
Polar Surface Area
20.23
Rotatable Bonds
2
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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