Molecule

ID:39000

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁NO₄
Molecular Mass
279.33154
Exact Mass
279.14705816
Charge
0
InChI
InChI=1S/C15H21NO4/c1-14(2,3)20-13(19)16-15(4,12(17)18)10-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3,(H,16,19)(H,17,18)/t15-/m0/s1
InChIKey
FAXPKABRZLISKX-HNNXBMFYSA-N
Canonic Smiles
OC(=O)[C@](Cc1ccccc1)(NC(=O)OC(C)(C)C)C
Isomeric Smiles
c1ccc(cc1)C[C@@](C)(C(=O)O)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
4.0657563
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.5560169
LogD (pH = 7.4)
-0.11766999
Log P
3.0024784
Molar Refractivity
74.7026
Polarizability
29.333433
Polar Surface Area
75.63
Rotatable Bonds
6
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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