Molecule

ID:17874

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁ClO
Molecular Mass
170.63604
Exact Mass
170.04984265
Charge
0
InChI
InChI=1S/C9H11ClO/c1-8-2-4-9(5-3-8)11-7-6-10/h2-5H,6-7H2,1H3
InChIKey
KBYIVQGBGSZJRP-UHFFFAOYSA-N
Canonic Smiles
ClCCOc1ccc(cc1)C
Isomeric Smiles
c1(ccc(cc1)C)OCCCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.9934857
LogD (pH = 7.4)
2.9934857
Log P
2.9934857
Molar Refractivity
46.9057
Polarizability
18.265818
Polar Surface Area
9.23
Rotatable Bonds
3
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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