Molecule

ID:86145

General Information
Structure
Molecular Formula
C₁₄H₁₁NO₃
Molecular Mass
241.24204
Exact Mass
241.07389322
Charge
0
InChI
InChI=1S/C14H11NO3/c16-14(17)9-7-11-6-8-13(15-10-11)18-12-4-2-1-3-5-12/h1-10H,(H,16,17)
InChIKey
TWPKEZACBDVQNY-UHFFFAOYSA-N
Canonic Smiles
OC(=O)/C=C/c1ccc(nc1)Oc1ccccc1
Isomeric Smiles
n1c(ccc(c1)/C=C/C(=O)O)Oc1ccccc1
Calculated Properties
JChem
Acid pKa
3.2471504
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.74830765
LogD (pH = 7.4)
-0.42989486
Log P
2.8324025
Molar Refractivity
67.4573
Polarizability
25.625048
Polar Surface Area
59.42
Rotatable Bonds
4
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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