Molecule

ID:35155

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅NO₃
Molecular Mass
257.2845
Exact Mass
257.10519335
Charge
0
InChI
InChI=1S/C15H15NO3/c16-14(10-15(17)18)11-5-4-8-13(9-11)19-12-6-2-1-3-7-12/h1-9,14H,10,16H2,(H,17,18)
InChIKey
DOHHGYXZPWMNKT-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC(c1cccc(c1)Oc1ccccc1)N
Isomeric Smiles
C(C(=O)O)C(c1cc(Oc2ccccc2)ccc1)N
Calculated Properties
JChem
Acid pKa
3.3147805
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.10917193
LogD (pH = 7.4)
0.1096672
Log P
0.11073104
Molar Refractivity
71.2264
Polarizability
28.210686
Polar Surface Area
72.55
Rotatable Bonds
5
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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