Molecule
ID:125998
General Information
Molecular Formula
C₉H₁₇N
Molecular Mass
139.23798
Exact Mass
139.13609955
Charge
0
InChI
InChI=1S/C9H17N/c1-2-4-9(3-1)5-7-10-8-6-9/h10H,1-8H2
InChIKey
AXMNGEUJXLXFRY-UHFFFAOYSA-N
Canonic Smiles
N1CCC2(CC1)CCCC2
Isomeric Smiles
N1CCC2(CCCC2)CC1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.5609816
LogD (pH = 7.4)
-1.087869
Log P
1.6699653
Molar Refractivity
43.2589
Polarizability
17.397926
Polar Surface Area
12.03
Rotatable Bonds
0
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
No Data Available
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Molecule Details
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References
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Bioactivity
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