Molecule

ID:74468

General Information
Structure
MolImage
Molecular Formula
C₅H₁₃N
Molecular Mass
87.16342
Exact Mass
87.10479942
Charge
0
InChI
InChI=1S/C5H13N/c1-3-4-5(2)6/h5H,3-4,6H2,1-2H3
InChIKey
IGEIPFLJVCPEKU-UHFFFAOYSA-N
Canonic Smiles
CCCC(N)C
Isomeric Smiles
NC(CCC)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.9126494
LogD (pH = 7.4)
-1.6164956
Log P
1.1150151
Molar Refractivity
28.2112
Polarizability
11.495053
Polar Surface Area
26.02
Rotatable Bonds
2
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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