Molecule

ID:30012

General Information
Structure
MolImage
Molecular Formula
C₉H₁₅NO₂
Molecular Mass
169.2209
Exact Mass
169.11027873
Charge
0
InChI
InChI=1S/C9H15NO2/c1-8(2)5-6(7(11)12)9(3,4)10-8/h5,10H,1-4H3,(H,11,12)
InChIKey
HQOIHPZSNFLRRG-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1=CC(NC1(C)C)(C)C
Isomeric Smiles
C1(=CC(NC1(C)C)(C)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.9461944
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.4891667
LogD (pH = 7.4)
-1.4795117
Log P
-1.4796227
Molar Refractivity
47.1562
Polarizability
18.377064
Polar Surface Area
49.33
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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