Molecule

ID:72345

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄ClNO₂
Molecular Mass
275.73016
Exact Mass
275.07130637
Charge
0
InChI
InChI=1S/C15H14ClNO2/c1-11(16)15(18)17-12-7-9-14(10-8-12)19-13-5-3-2-4-6-13/h2-11H,1H3,(H,17,18)
InChIKey
BSYZSMKURUVCRQ-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)Nc1ccc(cc1)Oc1ccccc1)Cl
Isomeric Smiles
C(=O)(Nc1ccc(Oc2ccccc2)cc1)C(Cl)C
Calculated Properties
JChem
Acid pKa
13.69375
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.8173513
LogD (pH = 7.4)
3.817351
Log P
3.8173513
Molar Refractivity
76.4089
Polarizability
29.194593
Polar Surface Area
38.33
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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