Molecule

ID:8451

General Information
Structure
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Molecular Formula
C₉H₁₁Cl
Molecular Mass
154.63664
Exact Mass
154.05492803
Charge
0
InChI
InChI=1S/C9H11Cl/c1-7-3-4-9(6-10)8(2)5-7/h3-5H,6H2,1-2H3
InChIKey
BETNPSBTDMBHCZ-UHFFFAOYSA-N
Canonic Smiles
ClCc1ccc(cc1C)C
Isomeric Smiles
c1c(cc(c(c1)CCl)C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.5873306
LogD (pH = 7.4)
3.5873306
Log P
3.5873306
Molar Refractivity
46.0073
Polarizability
17.5128
Polar Surface Area
0.0
Rotatable Bonds
1
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
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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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