Molecule

ID:78000

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁NO
Molecular Mass
101.14694
Exact Mass
101.08406398
Charge
0
InChI
InChI=1S/C5H11NO/c1-6-2-4-7-5-3-6/h2-5H2,1H3
InChIKey
SJRJJKPEHAURKC-UHFFFAOYSA-N
Canonic Smiles
CN1CCOCC1
Isomeric Smiles
O1CCN(CC1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-2.0323699
LogD (pH = 7.4)
-0.38977557
Log P
-0.028330985
Molar Refractivity
29.0626
Polarizability
11.428371
Polar Surface Area
12.47
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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