Molecule

ID:41704

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀O₂
Molecular Mass
210.228
Exact Mass
210.06807956
Charge
0
InChI
InChI=1S/C14H10O2/c1-9(15)14-8-12-11-5-3-2-4-10(11)6-7-13(12)16-14/h2-8H,1H3
InChIKey
BMUUDDPHMDJYQK-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1oc2c(c1)c1ccccc1cc2
Isomeric Smiles
c1(cc2c(o1)ccc1c2cccc1)C(=O)C
Calculated Properties
JChem
Acid pKa
14.230515
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5994947
LogD (pH = 7.4)
2.5994945
Log P
2.5994947
Molar Refractivity
61.6296
Polarizability
26.06382
Polar Surface Area
30.21
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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