Molecule

ID:69311

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁NO
Molecular Mass
101.14694
Exact Mass
101.08406398
Charge
0
InChI
InChI=1S/C5H11NO/c7-4-5-2-1-3-6-5/h5-7H,1-4H2
InChIKey
HVVNJUAVDAZWCB-UHFFFAOYSA-N
Canonic Smiles
OCC1CCCN1
Isomeric Smiles
C(O)C1NCCC1
Calculated Properties
JChem
LogD (pH = 7.4)
-3.43
LogD (pH = 5.5)
-3.66
Log P
-0.42
Rotatable Bonds
1
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
10.79
Polar Surface Area
32.26
Polarizability
11.50
Molar Refractivity
28.20
LOG S
0.57
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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