Molecule

ID:11309

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₁NO₄
Molecular Mass
291.34224
Exact Mass
291.14705816
Charge
0
InChI
InChI=1S/C16H21NO4/c1-11(2)10-21-13-7-5-12(6-8-13)15(18)17-9-3-4-14(17)16(19)20/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,19,20)
InChIKey
GNSRCYTXQZAXSS-UHFFFAOYSA-N
Canonic Smiles
CC(COc1ccc(cc1)C(=O)N1CCCC1C(=O)O)C
Isomeric Smiles
N1(C(=O)c2ccc(OCC(C)C)cc2)C(C(=O)O)CCC1
Calculated Properties
JChem
Acid pKa
3.2807074
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.2524002
LogD (pH = 7.4)
-0.9765214
Log P
2.4536073
Molar Refractivity
78.5081
Polarizability
30.22093
Polar Surface Area
66.84
Rotatable Bonds
5
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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