Molecule

ID:74474

General Information
Structure
MolImage
Molecular Formula
C₅H₁₃NO
Molecular Mass
103.16282
Exact Mass
103.09971404
Charge
0
InChI
InChI=1S/C5H13NO/c6-4-2-1-3-5-7/h7H,1-6H2
InChIKey
LQGKDMHENBFVRC-UHFFFAOYSA-N
Canonic Smiles
NCCCCCO
Isomeric Smiles
OCCCCCN
Calculated Properties
JChem
Acid pKa
16.843916
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.3176572
LogD (pH = 7.4)
-2.8978553
Log P
-0.2936698
Molar Refractivity
30.3221
Polarizability
12.084012
Polar Surface Area
46.25
Rotatable Bonds
4
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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