Molecule

ID:86393

General Information
Structure
MolImage
Molecular Formula
C₆H₉N
Molecular Mass
95.14236
Exact Mass
95.07349929
Charge
0
InChI
InChI=1S/C6H9N/c1-2-3-4-5-6-7/h2H,1,3-5H2
InChIKey
UNAQSRLBVVDYGP-UHFFFAOYSA-N
Canonic Smiles
C=CCCCC#N
Isomeric Smiles
N#CCCCC=C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.564857
LogD (pH = 7.4)
1.564857
Log P
1.564857
Molar Refractivity
30.097
Polarizability
11.389248
Polar Surface Area
23.79
Rotatable Bonds
3
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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