Molecule

ID:77287

General Information
Structure
MolImage
Molecular Formula
C₅H₇Cl
Molecular Mass
102.56208
Exact Mass
102.0236279
Charge
0
InChI
InChI=1S/C5H7Cl/c1-2-3-4-5-6/h1H,3-5H2
InChIKey
UXFIKVWAAMKFQE-UHFFFAOYSA-N
Canonic Smiles
ClCCCC#C
Isomeric Smiles
ClCCCC#C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.7973278
LogD (pH = 7.4)
1.7973278
Log P
1.7973278
Molar Refractivity
28.2485
Polarizability
10.660604
Polar Surface Area
0.0
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
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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