Molecule

ID:19552

General Information
Structure
Molecular Formula
C₁₅H₁₅NO₃
Molecular Mass
257.2845
Exact Mass
257.10519335
Charge
0
InChI
InChI=1S/C15H15NO3/c1-18-15(17)10-11-6-8-12(9-7-11)19-14-5-3-2-4-13(14)16/h2-9H,10,16H2,1H3
InChIKey
GIRDVDVVIYAPND-UHFFFAOYSA-N
Canonic Smiles
COC(=O)Cc1ccc(cc1)Oc1ccccc1N
Isomeric Smiles
c1(Oc2ccc(CC(=O)OC)cc2)c(N)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.4268968
LogD (pH = 7.4)
2.4282324
Log P
2.4282494
Molar Refractivity
73.0759
Polarizability
28.081066
Polar Surface Area
61.55
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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