Molecule

ID:56085

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O
Molecular Mass
210.27106
Exact Mass
210.10446507
Charge
0
InChI
InChI=1S/C15H14O/c1-11-8-9-12(2)14(10-11)15(16)13-6-4-3-5-7-13/h3-10H,1-2H3
InChIKey
PJCBRWRFLHBSNH-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)C(=O)c1ccccc1)C
Isomeric Smiles
c1cccc(c1)C(=O)c1c(ccc(C)c1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.4594417
LogD (pH = 7.4)
4.4594417
Log P
4.4594417
Molar Refractivity
66.7159
Polarizability
25.562737
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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