Molecule

ID:106990

General Information
Structure
MolImage
Molecular Formula
C₈H₁₉N
Molecular Mass
129.24316
Exact Mass
129.15174961
Charge
0
InChI
InChI=1S/C8H19N/c1-3-5-6-8(4-2)7-9/h8H,3-7,9H2,1-2H3
InChIKey
LTHNHFOGQMKPOV-UHFFFAOYSA-N
Canonic Smiles
CCCCC(CN)CC
Isomeric Smiles
CCCCC(CC)CN
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.6271767
LogD (pH = 7.4)
-0.21645015
Log P
2.397119
Molar Refractivity
42.067
Polarizability
17.036163
Polar Surface Area
26.02
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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