Molecule

ID:10738

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃ClO
Molecular Mass
184.66262
Exact Mass
184.06549272
Charge
0
InChI
InChI=1S/C10H13ClO/c1-12-10-6-4-9(5-7-10)3-2-8-11/h4-7H,2-3,8H2,1H3
InChIKey
ACDKPXVTMLYNEE-UHFFFAOYSA-N
Canonic Smiles
ClCCCc1ccc(cc1)OC
Isomeric Smiles
c1c(ccc(c1)CCCCl)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1360464
LogD (pH = 7.4)
3.1360464
Log P
3.1360464
Molar Refractivity
51.7441
Polarizability
20.104698
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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