Molecule

ID:58147

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈N₂
Molecular Mass
142.24192
Exact Mass
142.14699859
Charge
0
InChI
InChI=1S/C8H18N2/c1-3-10-5-4-8(7-10)6-9-2/h8-9H,3-7H2,1-2H3
InChIKey
SYDGCOCEWURBCU-UHFFFAOYSA-N
Canonic Smiles
CNCC1CCN(C1)CC
Isomeric Smiles
C1C(CCN1CC)CNC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-5.873935
LogD (pH = 7.4)
-3.854477
Log P
0.24832442
Molar Refractivity
45.0113
Polarizability
17.811394
Polar Surface Area
15.27
Rotatable Bonds
3
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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