Molecule

ID:63807

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₆O₄
Molecular Mass
284.30654
Exact Mass
284.10485899
Charge
0
InChI
InChI=1S/C17H16O4/c1-10-7-13(16(20)8-11(10)2)14(18)5-3-12-4-6-15(19)17(21)9-12/h3-9,19-21H,1-2H3/b5-3+
InChIKey
YITMXMHWDSZXJQ-HWKANZROSA-N
Canonic Smiles
O=C(c1cc(C)c(cc1O)C)/C=C/c1ccc(c(c1)O)O
Isomeric Smiles
Oc1ccc(/C=C/C(=O)c2cc(C)c(C)cc2O)cc1O
Calculated Properties
JChem
Acid pKa
8.480532
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
4.656021
LogD (pH = 7.4)
4.6214705
Log P
4.656472
Molar Refractivity
82.9021
Polarizability
30.671696
Polar Surface Area
77.76
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
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Molecule Details
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References
Bioactivity
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