Molecule

ID:11546

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈N₂
Molecular Mass
142.24192
Exact Mass
142.14699859
Charge
0
InChI
InChI=1S/C8H18N2/c1-8-4-2-3-6-10(8)7-5-9/h8H,2-7,9H2,1H3
InChIKey
DBSDZVMWEMKFCH-UHFFFAOYSA-N
Canonic Smiles
NCCN1CCCCC1C
Isomeric Smiles
C1CCC(N(C1)CCN)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.0935652
LogD (pH = 7.4)
-1.8950553
Log P
0.6601268
Molar Refractivity
44.4987
Polarizability
17.811394
Polar Surface Area
29.26
Rotatable Bonds
2
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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