Molecule

ID:89115

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅NO₃
Molecular Mass
173.2096
Exact Mass
173.10519335
Charge
0
InChI
InChI=1S/C8H15NO3/c1-8(2,3)12-7(10)9-4-6-5-11-6/h6H,4-5H2,1-3H3,(H,9,10)/t6-/m1/s1
InChIKey
ZBBGKXNNTNBRBH-ZCFIWIBFSA-N
Canonic Smiles
O=C(OC(C)(C)C)NC[C@H]1OC1
Isomeric Smiles
N(C[C@H]1OC1)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
14.5376
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.7079051
LogD (pH = 7.4)
0.7079051
Log P
0.7079051
Molar Refractivity
43.5365
Polarizability
17.38404
Polar Surface Area
50.86
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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