Molecule

ID:61351

General Information
Structure
Molecular Formula
C₁₅H₁₀O₄
Molecular Mass
254.2375
Exact Mass
254.0579088
Charge
0
InChI
InChI=1S/C15H10O4/c16-10-6-7-12-14(9-10)19-13(15(12)17)5-1-3-11-4-2-8-18-11/h1-9,16H/b3-1+,13-5-
InChIKey
UWPJFGPAYRLAJH-LFXCGDNUSA-N
Canonic Smiles
Oc1ccc2c(c1)O/C(=C\C=C\c1ccco1)/C2=O
Isomeric Smiles
c12c(O/C(=C\C=C\c3occc3)/C1=O)cc(cc2)O
Calculated Properties
JChem
Acid pKa
7.653796
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.4831557
LogD (pH = 7.4)
2.2954712
Log P
2.4861712
Molar Refractivity
71.7367
Polarizability
26.19495
Polar Surface Area
59.67
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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