Molecule

ID:79995

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁NO
Molecular Mass
101.14694
Exact Mass
101.08406398
Charge
0
InChI
InChI=1S/C5H11NO/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H2,6,7)
InChIKey
SANOUVWGPVYVAV-UHFFFAOYSA-N
Canonic Smiles
CC(CC(=O)N)C
Isomeric Smiles
O=C(N)CC(C)C
Calculated Properties
JChem
Acid pKa
17.025959
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.40183523
LogD (pH = 7.4)
0.4018353
Log P
0.4018353
Molar Refractivity
28.2424
Polarizability
11.1500025
Polar Surface Area
43.09
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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