Molecule

ID:42940

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄O₃
Molecular Mass
254.28056
Exact Mass
254.09429431
Charge
0
InChI
InChI=1S/C16H14O3/c17-11-12-1-3-13(4-2-12)14-5-7-15(8-6-14)16-18-9-10-19-16/h1-8,11,16H,9-10H2
InChIKey
MHEHYWBDTJADSL-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)c1ccc(cc1)C1OCCO1
Isomeric Smiles
C1(c2ccc(c3ccc(C=O)cc3)cc2)OCCO1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.3161278
LogD (pH = 7.4)
3.3161278
Log P
3.3161278
Molar Refractivity
73.1574
Polarizability
29.356037
Polar Surface Area
35.53
Rotatable Bonds
3
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
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References
Bioactivity
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