Molecule

ID:89136

General Information
Structure
Loading...
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-/m1/s1
InChIKey
RGHPCLZJAFCTIK-RXMQYKEDSA-N
Canonic Smiles
C[C@@H]1CCCN1
Isomeric Smiles
N1CCC[C@H]1C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.611706
LogD (pH = 7.4)
-2.5516837
Log P
0.629494
Molar Refractivity
26.6532
Polarizability
10.75224
Polar Surface Area
12.03
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
Loading...
References
Loading...
Bioactivity
Loading...