Molecule

ID:43679

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂O₄
Molecular Mass
256.25338
Exact Mass
256.07355886
Charge
0
InChI
InChI=1S/C15H12O4/c1-17-12-4-2-10(3-5-12)13-7-15-14(18-9-19-15)6-11(13)8-16/h2-8H,9H2,1H3
InChIKey
SNRUWDPXFOWYDG-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc2OCOc2cc1c1ccc(cc1)OC
Isomeric Smiles
c1(cc2c(cc1C=O)OCO2)c1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.7985358
LogD (pH = 7.4)
2.7985358
Log P
2.7985358
Molar Refractivity
70.0083
Polarizability
28.145334
Polar Surface Area
44.76
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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