Molecule

ID:26187

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₂O₃
Molecular Mass
276.28608
Exact Mass
276.07864424
Charge
0
InChI
InChI=1S/C18H12O3/c19-12-13-8-10-15(11-9-13)21-18(20)17-7-3-5-14-4-1-2-6-16(14)17/h1-12H
InChIKey
KLURIIXZCMFZTJ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)OC(=O)c1cccc2c1cccc2
Isomeric Smiles
C(=O)(c1c2c(ccc1)cccc2)Oc1ccc(C=O)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.3366604
LogD (pH = 7.4)
4.3366604
Log P
4.3366604
Molar Refractivity
80.8951
Polarizability
31.912912
Polar Surface Area
43.37
Rotatable Bonds
4
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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