Molecule

ID:77895

General Information
Structure
MolImage
Molecular Formula
C₄H₇Cl
Molecular Mass
90.55138
Exact Mass
90.0236279
Charge
0
InChI
InChI=1S/C4H7Cl/c1-4(2)3-5/h1,3H2,2H3
InChIKey
OHXAOPZTJOUYKM-UHFFFAOYSA-N
Canonic Smiles
CC(=C)CCl
Isomeric Smiles
ClCC(=C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.8106259
LogD (pH = 7.4)
1.8106259
Log P
1.8106259
Molar Refractivity
24.757
Polarizability
9.672052
Polar Surface Area
0.0
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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