Molecule

ID:83776

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄O
Molecular Mass
222.28176
Exact Mass
222.10446507
Charge
0
InChI
InChI=1S/C16H14O/c1-13-7-10-15(11-8-13)16(17)12-9-14-5-3-2-4-6-14/h2-12H,1H3
InChIKey
SSXZWAYXQSKEMV-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)C(=O)/C=C/c1ccccc1
Isomeric Smiles
O=C(c1ccc(cc1)C)/C=C/c1ccccc1
Calculated Properties
JChem
Acid pKa
17.050354
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.4037466
LogD (pH = 7.4)
4.4037466
Log P
4.4037466
Molar Refractivity
71.9182
Polarizability
27.166931
Polar Surface Area
17.07
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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
Bioactivity
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