Molecule

ID:83554

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₈O₂
Molecular Mass
266.33432
Exact Mass
266.13067982
Charge
0
InChI
InChI=1S/C18H18O2/c1-13(2)15-10-7-14(8-11-15)9-12-18(20)16-5-3-4-6-17(16)19/h3-13,19H,1-2H3
InChIKey
SONSBCPVVSAMDY-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1O)/C=C/c1ccc(cc1)C(C)C
Isomeric Smiles
O=C(c1ccccc1O)/C=C/c1ccc(cc1)C(C)C
Calculated Properties
JChem
Acid pKa
8.194458
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.480899
LogD (pH = 7.4)
5.4176135
Log P
5.481769
Molar Refractivity
83.0487
Polarizability
31.414438
Polar Surface Area
37.3
Rotatable Bonds
4
Lipinski's Rule of Five
false
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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