Molecule

ID:40130

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀O₄
Molecular Mass
254.2375
Exact Mass
254.0579088
Charge
0
InChI
InChI=1S/C15H10O4/c16-8-13-12-7-11(17)2-4-14(12)19-15(13)3-1-10-5-6-18-9-10/h1-9,17H/b3-1+
InChIKey
UKQCRAJIFBPGOD-HNQUOIGGSA-N
Canonic Smiles
O=Cc1c(/C=C/c2cocc2)oc2c1cc(O)cc2
Isomeric Smiles
c1(c(oc2c1cc(cc2)O)/C=C/c1cocc1)C=O
Calculated Properties
JChem
Acid pKa
9.000604
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.9412577
LogD (pH = 7.4)
2.9307039
Log P
2.9413939
Molar Refractivity
71.3097
Polarizability
27.254684
Polar Surface Area
63.58
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
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Molecule Details
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References
Bioactivity
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