Molecule

ID:61343

General Information
Structure
Molecular Formula
C₁₆H₁₂O₃
Molecular Mass
252.26468
Exact Mass
252.07864424
Charge
0
InChI
InChI=1S/C16H12O3/c1-10-3-2-4-11(7-10)8-15-16(18)13-6-5-12(17)9-14(13)19-15/h2-9,17H,1H3/b15-8-
InChIKey
JRKOSXIFODBAFH-NVNXTCNLSA-N
Canonic Smiles
Oc1ccc2c(c1)O/C(=C\c1cccc(c1)C)/C2=O
Isomeric Smiles
C\1(=C\c2cc(ccc2)C)/C(=O)c2c(O1)cc(cc2)O
Calculated Properties
JChem
Acid pKa
7.652427
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.4091053
LogD (pH = 7.4)
3.2209456
Log P
3.4121304
Molar Refractivity
74.0684
Polarizability
27.636822
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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