Molecule

ID:102247

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₃NO₃
Molecular Mass
289.36942
Exact Mass
289.1677936
Charge
0
InChI
InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3
InChIKey
RKUNBYITZUJHSG-UHFFFAOYSA-N
Canonic Smiles
OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)N2C
Isomeric Smiles
CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
Calculated Properties
JChem
Acid pKa
15.1457405
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.7801015
LogD (pH = 7.4)
-0.40574417
Log P
1.571241
Molar Refractivity
80.8164
Polarizability
32.034832
Polar Surface Area
49.77
Rotatable Bonds
5
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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