Molecule

ID:76377

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂O₃
Molecular Mass
228.24328
Exact Mass
228.07864424
Charge
0
InChI
InChI=1S/C14H12O3/c1-10-4-2-3-5-13(10)17-12-8-6-11(7-9-12)14(15)16/h2-9H,1H3,(H,15,16)
InChIKey
NDATUJNTHWUURZ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccccc1Oc1ccc(cc1)C(=O)O
Isomeric Smiles
O(c1ccccc1C)c1ccc(cc1)C(=O)O
Calculated Properties
JChem
Acid pKa
4.2983174
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.418419
LogD (pH = 7.4)
0.6803193
Log P
3.6445372
Molar Refractivity
64.5962
Polarizability
24.74057
Polar Surface Area
46.53
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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