Molecule

ID:86911

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁NO
Molecular Mass
101.14694
Exact Mass
101.08406398
Charge
0
InChI
InChI=1S/C5H11NO/c1-5(2,3)4(6)7/h1-3H3,(H2,6,7)
InChIKey
XIPFMBOWZXULIA-UHFFFAOYSA-N
Canonic Smiles
NC(=O)C(C)(C)C
Isomeric Smiles
O=C(C(C)(C)C)N
Calculated Properties
JChem
Acid pKa
16.932322
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.76924807
LogD (pH = 7.4)
0.7692481
Log P
0.7692481
Molar Refractivity
28.1683
Polarizability
11.1500025
Polar Surface Area
43.09
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
Molecule Details
References
Bioactivity
Navigation