Molecule
ID:87144
General Information
Molecular Formula
C₂₁H₁₈O₂
Molecular Mass
302.36642
Exact Mass
302.13067982
Charge
0
InChI
InChI=1S/C21H18O2/c22-20-14-8-7-13-18(20)19(16-9-3-1-4-10-16)15-21(23)17-11-5-2-6-12-17/h1-14,19,22H,15H2
InChIKey
FBSAPBMBVZHFQT-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)CC(c1ccccc1O)c1ccccc1
Isomeric Smiles
O=C(c1ccccc1)CC(c1c(cccc1)O)c1ccccc1
Calculated Properties
JChem
Acid pKa
9.292912
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.92699
LogD (pH = 7.4)
4.921571
Log P
4.9270597
Molar Refractivity
92.4082
Polarizability
35.74427
Polar Surface Area
37.3
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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