Molecule

ID:18159

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁ClO
Molecular Mass
170.63604
Exact Mass
170.04984265
Charge
0
InChI
InChI=1S/C9H11ClO/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKey
AZXLOLRTEJEZHJ-UHFFFAOYSA-N
Canonic Smiles
ClCCCOc1ccccc1
Isomeric Smiles
c1(OCCCCl)ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.540024
LogD (pH = 7.4)
2.540024
Log P
2.540024
Molar Refractivity
46.7299
Polarizability
18.342424
Polar Surface Area
9.23
Rotatable Bonds
4
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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