Molecule

ID:10707

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁NO
Molecular Mass
101.14694
Exact Mass
101.08406398
Charge
0
InChI
InChI=1S/C5H11NO/c1-5(7)4-6(2)3/h4H2,1-3H3
InChIKey
VFPKIWATTACVJR-UHFFFAOYSA-N
Canonic Smiles
CN(CC(=O)C)C
Isomeric Smiles
N(CC(=O)C)(C)C
Calculated Properties
JChem
Acid pKa
18.434416
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.9724282
LogD (pH = 7.4)
-0.3441111
Log P
-0.0022217033
Molar Refractivity
29.6238
Polarizability
11.537048
Polar Surface Area
20.31
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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