Molecule

ID:8024

General Information
Structure
Molecular Formula
C₈H₉Cl
Molecular Mass
140.61006
Exact Mass
140.03927797
Charge
0
InChI
InChI=1S/C8H9Cl/c1-2-7-5-3-4-6-8(7)9/h3-6H,2H2,1H3
InChIKey
CVGAWKYSRYXQOI-UHFFFAOYSA-N
Canonic Smiles
CCc1ccccc1Cl
Isomeric Smiles
c1ccc(c(c1)CC)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.5352805
LogD (pH = 7.4)
3.5352805
Log P
3.5352805
Molar Refractivity
40.505
Polarizability
15.795989
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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