Molecule

ID:128100

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)11-15(10-13)21-17(20)16(19)9-12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16-/m1/s1
InChIKey
FNRXUEYLFZLOEZ-FXUDXRNXSA-N
Canonic Smiles
O[C@@H](C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C)Cc1ccccc1
Isomeric Smiles
CN1[C@@H]2C[C@@H](OC(=O)[C@@H](Cc3ccccc3)O)C[C@H]1CC2
Calculated Properties
JChem
Acid pKa
12.614994
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.4688133
LogD (pH = 7.4)
-0.09445684
Log P
1.8825287
Molar Refractivity
80.5604
Polarizability
32.036613
Polar Surface Area
49.77
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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