Molecule

ID:36158

General Information
Structure
MolImage
Molecular Formula
C₉H₁₅NO₃
Molecular Mass
185.2203
Exact Mass
185.10519335
Charge
0
InChI
InChI=1S/C9H15NO3/c1-9(2,3)13-8(11)10-4-6-7(5-10)12-6/h6-7H,4-5H2,1-3H3
InChIKey
NXZIGGBPLGAPTI-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CC2C(C1)O2)OC(C)(C)C
Isomeric Smiles
C12C(O1)CN(C(=O)OC(C)(C)C)C2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.8198233
LogD (pH = 7.4)
0.8198233
Log P
0.8198233
Molar Refractivity
46.1344
Polarizability
18.500322
Polar Surface Area
42.07
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
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References
Bioactivity
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