Molecule

ID:109400

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇N
Molecular Mass
127.22728
Exact Mass
127.13609955
Charge
0
InChI
InChI=1S/C8H17N/c9-8-6-4-2-1-3-5-7-8/h8H,1-7,9H2
InChIKey
HSOHBWMXECKEKV-UHFFFAOYSA-N
Canonic Smiles
NC1CCCCCCC1
Isomeric Smiles
NC1CCCCCCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.96500325
LogD (pH = 7.4)
-0.6802478
Log P
2.062949
Molar Refractivity
40.135
Polarizability
16.292534
Polar Surface Area
26.02
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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