Molecule

ID:50159

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₁N
Molecular Mass
155.28044
Exact Mass
155.16739968
Charge
0
InChI
InChI=1S/C10H21N/c1-3-9(4-2)7-10-5-6-11-8-10/h9-11H,3-8H2,1-2H3
InChIKey
OQHVZYFLWMHQSX-UHFFFAOYSA-N
Canonic Smiles
CCC(CC1CNCC1)CC
Isomeric Smiles
N1CC(CC(CC)CC)CC1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.5979471
LogD (pH = 7.4)
-0.5333636
Log P
2.6431856
Molar Refractivity
49.6586
Polarizability
19.986317
Polar Surface Area
12.03
Rotatable Bonds
4
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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