Molecule

ID:111539

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₅N
Molecular Mass
171.3229
Exact Mass
171.19869981
Charge
0
InChI
InChI=1S/C11H25N/c1-2-3-4-5-6-7-8-9-10-11-12/h2-12H2,1H3
InChIKey
QFKMMXYLAPZKIB-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCN
Isomeric Smiles
CCCCCCCCCCCN
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.78643256
LogD (pH = 7.4)
1.2062091
Log P
3.8104208
Molar Refractivity
55.9994
Polarizability
22.57728
Polar Surface Area
26.02
Rotatable Bonds
9
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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