Molecule

ID:70261

General Information
Structure
MolImage
Molecular Formula
C₅H₉N
Molecular Mass
83.13166
Exact Mass
83.07349929
Charge
0
InChI
InChI=1S/C5H9N/c1-5-3-2-4-6-5/h2-4H2,1H3
InChIKey
CTSZPNIMMLSKDV-UHFFFAOYSA-N
Canonic Smiles
CC1=NCCC1
Isomeric Smiles
N1=C(CCC1)C
Calculated Properties
JChem
LogD (pH = 7.4)
0.48
LogD (pH = 5.5)
-0.70
Log P
0.57
Rotatable Bonds
0
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
6.75
Polar Surface Area
12.36
Polarizability
9.94
Molar Refractivity
26.04
LOG S
0.28
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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