Molecule

ID:123425

General Information
Structure
MolImage
Molecular Formula
C₄H₃ClO₂
Molecular Mass
118.51842
Exact Mass
117.98215702
Charge
0
InChI
InChI=1S/C4H3ClO2/c1-2-3-7-4(5)6/h1H,3H2
InChIKey
RAMTXCRMKBFPRG-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)OCC#C
Isomeric Smiles
C(=O)(Cl)OCC#C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.1573582
LogD (pH = 7.4)
1.1573582
Log P
1.1573582
Molar Refractivity
25.706
Polarizability
9.78508
Polar Surface Area
26.3
Rotatable Bonds
2
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
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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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