Molecule

ID:88877

General Information
Structure
MolImage
Molecular Formula
C₉H₁₉NO₃
Molecular Mass
189.25206
Exact Mass
189.13649347
Charge
0
InChI
InChI=1S/C9H19NO3/c1-5-7(6-11)10-8(12)13-9(2,3)4/h7,11H,5-6H2,1-4H3,(H,10,12)
InChIKey
LQRGWGOFPUXNOV-UHFFFAOYSA-N
Canonic Smiles
CCC(NC(=O)OC(C)(C)C)CO
Isomeric Smiles
N(C(=O)OC(C)(C)C)C(CC)CO
Calculated Properties
JChem
Acid pKa
14.498967
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.115634
LogD (pH = 7.4)
1.1156338
Log P
1.115634
Molar Refractivity
50.0269
Polarizability
19.85728
Polar Surface Area
58.56
Rotatable Bonds
5
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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