Molecule

ID:89467

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O
Molecular Mass
210.27106
Exact Mass
210.10446507
Charge
0
InChI
InChI=1S/C15H14O/c1-16-15-11-9-14(10-12-15)8-7-13-5-3-2-4-6-13/h2-12H,1H3
InChIKey
XWYXLYCDZKRCAD-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)/C=C/c1ccccc1
Isomeric Smiles
O(c1ccc(cc1)/C=C/c1ccccc1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.1554155
LogD (pH = 7.4)
4.1554155
Log P
4.1554155
Molar Refractivity
67.976
Polarizability
26.113146
Polar Surface Area
9.23
Rotatable Bonds
3
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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