Molecule

ID:109339

General Information
Structure
MolImage
Molecular Formula
C₇H₉N
Molecular Mass
107.15306
Exact Mass
107.07349929
Charge
0
InChI
InChI=1S/C7H9N/c8-6-5-7-3-1-2-4-7/h3H,1-2,4-5H2
InChIKey
LEWVRAMNXUWSFL-UHFFFAOYSA-N
Canonic Smiles
N#CCC1=CCCC1
Isomeric Smiles
N#CCC1=CCCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.2865587
LogD (pH = 7.4)
1.2865587
Log P
1.2865587
Molar Refractivity
33.6493
Polarizability
12.498306
Polar Surface Area
23.79
Rotatable Bonds
1
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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