Molecule

ID:118908

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅NO₂
Molecular Mass
145.1995
Exact Mass
145.11027873
Charge
0
InChI
InChI=1S/C7H15NO2/c1-5-8-6(9)10-7(2,3)4/h5H2,1-4H3,(H,8,9)
InChIKey
ISTGQSQWSKCNFJ-UHFFFAOYSA-N
Canonic Smiles
CCNC(=O)OC(C)(C)C
Isomeric Smiles
C(=O)(OC(C)(C)C)NCC
Calculated Properties
JChem
Acid pKa
16.256031
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.2234465
LogD (pH = 7.4)
1.2234465
Log P
1.2234465
Molar Refractivity
39.5404
Polarizability
15.537319
Polar Surface Area
38.33
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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