Molecule

ID:56986

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃ClO₂
Molecular Mass
260.71552
Exact Mass
260.06040734
Charge
0
InChI
InChI=1S/C15H13ClO2/c16-15(17)13-6-8-14(9-7-13)18-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKey
KLLLZNAMDISNRS-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1ccc(cc1)OCCc1ccccc1
Isomeric Smiles
c1(ccc(cc1)C(=O)Cl)OCCc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.0196214
LogD (pH = 7.4)
4.0196214
Log P
4.0196214
Molar Refractivity
73.0035
Polarizability
27.942469
Polar Surface Area
26.3
Rotatable Bonds
5
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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