Molecule

ID:127881

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/h4H,3H2,1-2H3
InChIKey
QTBFPMKWQKYFLR-UHFFFAOYSA-N
Canonic Smiles
ClCC(C)C
Isomeric Smiles
CC(C)CCl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.080318
LogD (pH = 7.4)
2.080318
Log P
2.080318
Molar Refractivity
25.0565
Polarizability
9.91483
Polar Surface Area
0.0
Rotatable Bonds
1
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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