Molecule

ID:41998

General Information
Structure
Molecular Formula
C₁₄H₁₀O₃
Molecular Mass
226.2274
Exact Mass
226.06299418
Charge
0
InChI
InChI=1S/C14H10O3/c15-8-10-1-3-11(4-2-10)12-5-6-13-14(7-12)17-9-16-13/h1-8H,9H2
InChIKey
LPIFQHGQMIRTBE-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)c1ccc2c(c1)OCO2
Isomeric Smiles
c12cc(c3ccc(C=O)cc3)ccc1OCO2
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.956207
LogD (pH = 7.4)
2.956207
Log P
2.956207
Molar Refractivity
63.5451
Polarizability
25.640074
Polar Surface Area
35.53
Rotatable Bonds
2
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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