Molecule

ID:74486

General Information
Structure
MolImage
Molecular Formula
C₅H₉Cl
Molecular Mass
104.57796
Exact Mass
104.03927797
Charge
0
InChI
InChI=1S/C5H9Cl/c6-5-3-1-2-4-5/h5H,1-4H2
InChIKey
NDTCXABJQNJPCF-UHFFFAOYSA-N
Canonic Smiles
ClC1CCCC1
Isomeric Smiles
ClC1CCCC1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.1907167
LogD (pH = 7.4)
2.1907167
Log P
2.1907167
Molar Refractivity
27.7255
Polarizability
11.031027
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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