Molecule

ID:129411

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅NO₃
Molecular Mass
173.2096
Exact Mass
173.10519335
Charge
0
InChI
InChI=1S/C8H15NO3/c1-8(2)5-12-6(4-9-8)3-7(10)11/h6,9H,3-5H2,1-2H3,(H,10,11)/t6-/m0/s1
InChIKey
SEYCKMQSPUVYEF-LURJTMIESA-N
Canonic Smiles
OC(=O)C[C@@H]1OCC(NC1)(C)C
Isomeric Smiles
O=C(O)C[C@@H]1OCC(NC1)(C)C
Calculated Properties
JChem
Acid pKa
4.274406
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.4283333
LogD (pH = 7.4)
-2.4209738
Log P
-2.4134285
Molar Refractivity
43.2791
Polarizability
17.513292
Polar Surface Area
58.56
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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