Molecule

ID:91436

General Information
Structure
MolImage
Molecular Formula
C₄H₅ClO
Molecular Mass
104.5349
Exact Mass
104.00289246
Charge
0
InChI
InChI=1S/C4H5ClO/c1-3(2)4(5)6/h1H2,2H3
InChIKey
VHRYZQNGTZXDNX-UHFFFAOYSA-N
Canonic Smiles
CC(=C)C(=O)Cl
Isomeric Smiles
O=C(C(=C)C)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.4618274
LogD (pH = 7.4)
1.4618274
Log P
1.4618274
Molar Refractivity
25.507
Polarizability
9.822731
Polar Surface Area
17.07
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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