Molecule

ID:70254

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁N
Molecular Mass
85.14754
Exact Mass
85.08914936
Charge
0
InChI
InChI=1S/C5H11N/c1-5-3-2-4-6-5/h5-6H,2-4H2,1H3/t5-/m0/s1
InChIKey
RGHPCLZJAFCTIK-YFKPBYRVSA-N
Canonic Smiles
C[C@H]1CCCN1
Isomeric Smiles
N1[C@H](CCC1)C
Calculated Properties
JChem
LogD (pH = 7.4)
-2.55
LogD (pH = 5.5)
-2.61
Log P
0.63
Rotatable Bonds
0
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
11.46
Polar Surface Area
12.03
Polarizability
10.56
Molar Refractivity
26.65
LOG S
0.19
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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