Molecule

ID:90957

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₃NO₄
Molecular Mass
305.36882
Exact Mass
305.16270822
Charge
0
InChI
InChI=1S/C17H23NO4/c1-17(2,3)22-16(21)18-10-13(14(11-18)15(19)20)9-12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3,(H,19,20)/t13-,14-/m1/s1
InChIKey
XEXAQXOMAAQNNI-ZIAGYGMSSA-N
Canonic Smiles
OC(=O)[C@@H]1CN(C[C@H]1Cc1ccccc1)C(=O)OC(C)(C)C
Isomeric Smiles
N1(C[C@@H](Cc2ccccc2)[C@@H](C1)C(=O)O)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
4.507946
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.7851925
LogD (pH = 7.4)
0.015564754
Log P
2.8181095
Molar Refractivity
82.483
Polarizability
32.28496
Polar Surface Area
66.84
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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