Molecule

ID:77897

General Information
Structure
MolImage
Molecular Formula
C₄H₉Cl
Molecular Mass
92.56726
Exact Mass
92.03927797
Charge
0
InChI
InChI=1S/C4H9Cl/c1-4(2,3)5/h1-3H3
InChIKey
NBRKLOOSMBRFMH-UHFFFAOYSA-N
Canonic Smiles
CC(Cl)(C)C
Isomeric Smiles
ClC(C)(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.8899745
LogD (pH = 7.4)
1.8899745
Log P
1.8899745
Molar Refractivity
25.1179
Polarizability
9.916564
Polar Surface Area
0.0
Rotatable Bonds
0
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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