Molecule

ID:129257

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O₄
Molecular Mass
258.26926
Exact Mass
258.08920893
Charge
0
InChI
InChI=1S/C15H14O4/c1-19-15-5-4-10(8-14(15)18)2-3-11-6-12(16)9-13(17)7-11/h2-9,16-18H,1H3/b3-2+
InChIKey
PHMHDRYYFAYWEG-NSCUHMNNSA-N
Canonic Smiles
COc1ccc(cc1O)/C=C/c1cc(O)cc(c1)O
Isomeric Smiles
COc1ccc(cc1O)/C=C/c1cc(O)cc(c1)O
Calculated Properties
JChem
Acid pKa
9.075874
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
3.244605
LogD (pH = 7.4)
3.2356806
Log P
3.2447195
Molar Refractivity
73.9187
Polarizability
27.838408
Polar Surface Area
69.92
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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