Molecule

ID:40503

General Information
Structure
Molecular Formula
C₁₅H₁₁ClO₃
Molecular Mass
274.69904
Exact Mass
274.03967189
Charge
0
InChI
InChI=1S/C15H11ClO3/c16-12-5-3-6-13(10-12)19-14-7-2-1-4-11(14)8-9-15(17)18/h1-10H,(H,17,18)/b9-8+
InChIKey
HNACFGBMSLYARA-CMDGGOBGSA-N
Canonic Smiles
OC(=O)/C=C/c1ccccc1Oc1cccc(c1)Cl
Isomeric Smiles
C(=C\C(=O)O)/c1c(Oc2cc(Cl)ccc2)cccc1
Calculated Properties
JChem
Acid pKa
3.729421
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.4700365
LogD (pH = 7.4)
0.94703823
Log P
4.240418
Molar Refractivity
74.1055
Polarizability
28.39191
Polar Surface Area
46.53
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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