Molecule

ID:91714

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O
Molecular Mass
210.27106
Exact Mass
210.10446507
Charge
0
InChI
InChI=1S/C15H14O/c1-11-4-3-5-15(10-11)14-8-6-13(7-9-14)12(2)16/h3-10H,1-2H3
InChIKey
CMQLVQGSXLXPRH-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)c1ccc(cc1)C(=O)C
Isomeric Smiles
O=C(c1ccc(cc1)c1cccc(c1)C)C
Calculated Properties
JChem
Acid pKa
16.0922
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.69154
LogD (pH = 7.4)
3.69154
Log P
3.69154
Molar Refractivity
66.6382
Polarizability
26.908154
Polar Surface Area
17.07
Rotatable Bonds
2
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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