Molecule

ID:56756

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃ClO₂
Molecular Mass
248.70482
Exact Mass
248.06040734
Charge
0
InChI
InChI=1S/C14H13ClO2/c1-14(2,13(15)16)17-12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,1-2H3
InChIKey
OLLUFTJVVURKCC-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)C(Oc1ccc2c(c1)cccc2)(C)C
Isomeric Smiles
C(C(=O)Cl)(Oc1cc2c(cc1)cccc2)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.8178945
LogD (pH = 7.4)
3.8178945
Log P
3.8178945
Molar Refractivity
68.1217
Polarizability
27.8035
Polar Surface Area
26.3
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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