Molecule

ID:558

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂O₂
Molecular Mass
212.24388
Exact Mass
212.08372962
Charge
0
InChI
InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2
InChIKey
SESFRYSPDFLNCH-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)OCc1ccccc1
Isomeric Smiles
O(Cc1ccccc1)C(=O)c1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
3.70
LogD (pH = 5.5)
3.70
Log P
3.70
Rotatable Bonds
4
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-6.90
Polar Surface Area
26.30
Polarizability
23.11
Molar Refractivity
62.70
LOG S
-3.56
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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