Molecule

ID:10749

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃ClO
Molecular Mass
184.66262
Exact Mass
184.06549272
Charge
0
InChI
InChI=1S/C10H13ClO/c11-8-4-5-9-12-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
InChIKey
JKXCPAVECBFBOC-UHFFFAOYSA-N
Canonic Smiles
ClCCCCOc1ccccc1
Isomeric Smiles
c1cccc(c1)OCCCCCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0573869
LogD (pH = 7.4)
3.0573869
Log P
3.0573869
Molar Refractivity
51.3745
Polarizability
20.183243
Polar Surface Area
9.23
Rotatable Bonds
5
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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