Molecule

ID:106956

General Information
Structure
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Molecular Formula
C₈H₁₉N
Molecular Mass
129.24316
Exact Mass
129.15174961
Charge
0
InChI
InChI=1S/C8H19N/c1-7(2)5-9-6-8(3)4/h7-9H,5-6H2,1-4H3
InChIKey
NJBCRXCAPCODGX-UHFFFAOYSA-N
Canonic Smiles
CC(CNCC(C)C)C
Isomeric Smiles
CC(C)CNCC(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.9440572
LogD (pH = 7.4)
-0.7970738
Log P
2.295728
Molar Refractivity
42.1818
Polarizability
17.036163
Polar Surface Area
12.03
Rotatable Bonds
4
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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