Molecule

ID:63504

General Information
Structure
Molecular Formula
C₉H₁₅NO₃
Molecular Mass
185.2203
Exact Mass
185.10519335
Charge
0
InChI
InChI=1S/C9H15NO3/c1-9(2,3)13-8(12)10-6-4-5-7(10)11/h4-6H2,1-3H3
InChIKey
GJJYYMXBCYYXPQ-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCN1C(=O)OC(C)(C)C
Isomeric Smiles
O=C1N(C(=O)OC(C)(C)C)CCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.0822498
LogD (pH = 7.4)
1.0822498
Log P
1.0822498
Molar Refractivity
47.253
Polarizability
18.603695
Polar Surface Area
46.61
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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