Molecule

ID:50158

General Information
Structure
MolImage
Molecular Formula
C₉H₁₉N
Molecular Mass
141.25386
Exact Mass
141.15174961
Charge
0
InChI
InChI=1S/C9H19N/c1-3-8(2)6-9-4-5-10-7-9/h8-10H,3-7H2,1-2H3
InChIKey
DYHKMQCTLRRARG-UHFFFAOYSA-N
Canonic Smiles
CCC(CC1CNCC1)C
Isomeric Smiles
N1CC(CC(CC)C)CC1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.0425159
LogD (pH = 7.4)
-0.9779332
Log P
2.198617
Molar Refractivity
45.0576
Polarizability
18.13941
Polar Surface Area
12.03
Rotatable Bonds
3
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
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References
Bioactivity
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