Molecule

ID:21912

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O₃
Molecular Mass
242.26986
Exact Mass
242.09429431
Charge
0
InChI
InChI=1S/C15H14O3/c16-14-9-5-4-8-13(14)15(17)18-11-10-12-6-2-1-3-7-12/h1-9,16H,10-11H2
InChIKey
YNMSDIQQNIRGDP-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1O)OCCc1ccccc1
Isomeric Smiles
c1(C(=O)OCCc2ccccc2)c(O)cccc1
Calculated Properties
JChem
Acid pKa
9.719385
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.3362656
LogD (pH = 7.4)
4.3342314
Log P
4.336292
Molar Refractivity
69.4318
Polarizability
26.787577
Polar Surface Area
46.53
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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