Molecule

ID:1810

General Information
Structure
MolImage
Molecular Formula
C₅H₁₃N
Molecular Mass
87.16342
Exact Mass
87.10479942
Charge
0
InChI
InChI=1S/C5H13N/c1-2-3-4-5-6/h2-6H2,1H3
InChIKey
DPBLXKKOBLCELK-UHFFFAOYSA-N
Canonic Smiles
CCCCCN
Isomeric Smiles
CCCCCN
Calculated Properties
JChem
LogD (pH = 7.4)
-1.46
LogD (pH = 5.5)
-1.88
Log P
1.14
Rotatable Bonds
3
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
10.21
Polar Surface Area
26.02
Polarizability
11.68
Molar Refractivity
28.39
LOG S
-0.85
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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