Molecule
ID:86173
General Information
Molecular Formula
C₁₄H₁₂O₃
Molecular Mass
228.24328
Exact Mass
228.07864424
Charge
0
InChI
InChI=1S/C14H12O3/c1-16-14(15)11-6-5-9-13(10-11)17-12-7-3-2-4-8-12/h2-10H,1H3
InChIKey
GWNMDCSPTJONPD-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cccc(c1)Oc1ccccc1
Isomeric Smiles
O=C(c1cccc(c1)Oc1ccccc1)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.47701
LogD (pH = 7.4)
3.47701
Log P
3.47701
Molar Refractivity
64.3241
Polarizability
25.072397
Polar Surface Area
35.53
Rotatable Bonds
4
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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