Molecule

ID:129762

General Information
Structure
MolImage
Molecular Formula
C₅H₉N
Molecular Mass
83.13166
Exact Mass
83.07349929
Charge
0
InChI
InChI=1S/C5H9N/c1-5(2,3)6-4/h1-3H3
InChIKey
FAGLEPBREOXSAC-UHFFFAOYSA-N
Canonic Smiles
CC([N+]#[C-])(C)C
Isomeric Smiles
CC(C)(C)[N+]#[C-]
Calculated Properties
JChem
Acid pKa
16.183996
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-0.90444934
LogD (pH = 7.4)
-0.90444934
Log P
-0.90444934
Molar Refractivity
35.3172
Polarizability
10.279807
Polar Surface Area
4.36
Rotatable Bonds
0
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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