Molecule

ID:33543

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₁NO₄
Molecular Mass
291.34224
Exact Mass
291.14705816
Charge
0
InChI
InChI=1S/C16H21NO4/c1-16(2,3)21-15(20)17-12(13(18)10-14(17)19)9-11-7-5-4-6-8-11/h4-8,12-13,18H,9-10H2,1-3H3/t12-,13-/m0/s1
InChIKey
FAOCMRNCSQPXAI-STQMWFEESA-N
Canonic Smiles
O[C@H]1CC(=O)N([C@H]1Cc1ccccc1)C(=O)OC(C)(C)C
Isomeric Smiles
N1(C(=O)OC(C)(C)C)C(=O)C[C@@H]([C@@H]1Cc1ccccc1)O
Calculated Properties
JChem
Acid pKa
14.313766
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.236155
LogD (pH = 7.4)
2.236155
Log P
2.236155
Molar Refractivity
77.4983
Polarizability
30.626112
Polar Surface Area
66.84
Rotatable Bonds
4
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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