Molecule

ID:61360

General Information
Structure
Molecular Formula
C₁₆H₁₂O₃
Molecular Mass
252.26468
Exact Mass
252.07864424
Charge
0
InChI
InChI=1S/C16H12O3/c1-10-13(17)8-7-12-15(18)14(19-16(10)12)9-11-5-3-2-4-6-11/h2-9,17H,1H3/b14-9-
InChIKey
AUCBNYLILZDZOH-ZROIWOOFSA-N
Canonic Smiles
O=C1/C(=C/c2ccccc2)/Oc2c1ccc(c2C)O
Isomeric Smiles
c12O/C(=C\c3ccccc3)/C(=O)c1ccc(c2C)O
Calculated Properties
JChem
Acid pKa
8.095015
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.4110355
LogD (pH = 7.4)
3.332866
Log P
3.4121304
Molar Refractivity
74.0684
Polarizability
27.63911
Polar Surface Area
46.53
Rotatable Bonds
1
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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