Molecule

ID:24447

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈N₂
Molecular Mass
142.24192
Exact Mass
142.14699859
Charge
0
InChI
InChI=1S/C8H18N2/c1-9-5-4-8-10-6-2-3-7-10/h9H,2-8H2,1H3
InChIKey
PBKBNZLWSVHLAG-UHFFFAOYSA-N
Canonic Smiles
CNCCCN1CCCC1
Isomeric Smiles
N1(CCCNC)CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-5.794839
LogD (pH = 7.4)
-3.7213554
Log P
0.29152325
Molar Refractivity
45.1189
Polarizability
17.811394
Polar Surface Area
15.27
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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