Molecule

ID:68025

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁NO
Molecular Mass
101.14694
Exact Mass
101.08406398
Charge
0
InChI
InChI=1S/C5H11NO/c1-5-4-7-3-2-6-5/h5-6H,2-4H2,1H3/t5-/m0/s1
InChIKey
SFWWGMKXCYLZEG-YFKPBYRVSA-N
Canonic Smiles
C[C@H]1COCCN1
Isomeric Smiles
N1[C@H](COCC1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.8545377
LogD (pH = 7.4)
-1.2097597
Log P
0.0051961015
Molar Refractivity
28.1867
Polarizability
11.428371
Polar Surface Area
21.26
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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