Molecule

ID:8544

General Information
Structure
MolImage
Molecular Formula
C₄H₇Cl
Molecular Mass
90.55138
Exact Mass
90.0236279
Charge
0
InChI
InChI=1S/C4H7Cl/c5-4-2-1-3-4/h4H,1-3H2
InChIKey
STJYMUBZVMSMBP-UHFFFAOYSA-N
Canonic Smiles
ClC1CCC1
Isomeric Smiles
C1(Cl)CCC1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.746148
LogD (pH = 7.4)
1.746148
Log P
1.746148
Molar Refractivity
23.1245
Polarizability
9.196537
Polar Surface Area
0.0
Rotatable Bonds
0
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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