Molecule

ID:84544

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁ClO₃
Molecular Mass
274.69904
Exact Mass
274.03967189
Charge
0
InChI
InChI=1S/C15H11ClO3/c16-12-7-3-1-5-10(12)14(18)9-15(19)11-6-2-4-8-13(11)17/h1-8,17H,9H2
InChIKey
LHPUZLSWSLSCEQ-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1O)CC(=O)c1ccccc1Cl
Isomeric Smiles
O=C(c1ccccc1Cl)CC(=O)c1c(cccc1)O
Calculated Properties
JChem
Acid pKa
1.843928
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.0698677
LogD (pH = 7.4)
0.9455068
Log P
4.12784
Molar Refractivity
73.4077
Polarizability
28.04688
Polar Surface Area
54.37
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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