Molecule

ID:127428

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O
Molecular Mass
210.27106
Exact Mass
210.10446507
Charge
0
InChI
InChI=1S/C15H14O/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15/h1-9,15H,10-11H2
InChIKey
QOLIPNRNLBQTAU-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)C1CCc2c(O1)cccc2
Isomeric Smiles
C1Cc2ccccc2OC1c1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
4.08
LogD (pH = 5.5)
4.08
Log P
4.08
Rotatable Bonds
1
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-4.88
Polar Surface Area
9.23
Polarizability
23.91
Molar Refractivity
64.71
LOG S
-3.71
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
References
Bioactivity
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