Molecule

ID:63304

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁NO
Molecular Mass
101.14694
Exact Mass
101.08406398
Charge
0
InChI
InChI=1S/C5H11NO/c1-6-3-2-5(7)4-6/h5,7H,2-4H2,1H3
InChIKey
FLVFPAIGVBQGET-UHFFFAOYSA-N
Canonic Smiles
CN1CCC(C1)O
Isomeric Smiles
C1(CN(C)CC1)O
Calculated Properties
JChem
Acid pKa
14.847978
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.8714778
LogD (pH = 7.4)
-2.432706
Log P
-0.5517307
Molar Refractivity
28.847
Polarizability
11.356206
Polar Surface Area
23.47
Rotatable Bonds
0
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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