Molecule

ID:77288

General Information
Structure
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Molecular Formula
C₆H₉Cl
Molecular Mass
116.58866
Exact Mass
116.03927797
Charge
0
InChI
InChI=1S/C6H9Cl/c1-2-3-4-5-6-7/h1H,3-6H2
InChIKey
ZUKOCGMVJUXIJA-UHFFFAOYSA-N
Canonic Smiles
ClCCCCC#C
Isomeric Smiles
ClCCCCC#C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.2418964
LogD (pH = 7.4)
2.2418964
Log P
2.2418964
Molar Refractivity
32.8495
Polarizability
12.498514
Polar Surface Area
0.0
Rotatable Bonds
3
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
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Molecule Details
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References
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Bioactivity
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