Molecule

ID:73395

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄O₄
Molecular Mass
270.27996
Exact Mass
270.08920893
Charge
0
InChI
InChI=1S/C16H14O4/c1-9-7-11(8-10(2)14(9)17)15(18)12-5-3-4-6-13(12)16(19)20/h3-8,17H,1-2H3,(H,19,20)
InChIKey
ZCZCMCBHMZQTTD-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1C(=O)O)c1cc(C)c(c(c1)C)O
Isomeric Smiles
O=C(c1cc(c(c(c1)C)O)C)c1ccccc1C(=O)O
Calculated Properties
JChem
Acid pKa
3.4954932
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.8170927
LogD (pH = 7.4)
0.40881202
Log P
3.8134592
Molar Refractivity
75.953
Polarizability
28.440039
Polar Surface Area
74.6
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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