Molecule

ID:57796

General Information
Structure
Molecular Formula
C₁₆H₁₁NO₃
Molecular Mass
265.26344
Exact Mass
265.07389322
Charge
0
InChI
InChI=1S/C16H11NO3/c18-16(19)13-9-5-4-8-12(13)15-17-10-14(20-15)11-6-2-1-3-7-11/h1-10H,(H,18,19)
InChIKey
HEIBWPHLFHWDAX-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccccc1c1ncc(o1)c1ccccc1
Isomeric Smiles
c1(ncc(o1)c1ccccc1)c1c(C(=O)O)cccc1
Calculated Properties
JChem
Acid pKa
3.0452268
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.74148077
LogD (pH = 7.4)
-0.30454263
Log P
3.164717
Molar Refractivity
84.1389
Polarizability
29.880297
Polar Surface Area
63.33
Rotatable Bonds
3
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
No Data Available
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Molecule Details
References
Bioactivity
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