Molecule

ID:58217

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈N₂
Molecular Mass
142.24192
Exact Mass
142.14699859
Charge
0
InChI
InChI=1S/C8H18N2/c1-8(4-5-9)10-6-2-3-7-10/h8H,2-7,9H2,1H3
InChIKey
SPZQIRUEJFYSEQ-UHFFFAOYSA-N
Canonic Smiles
NCCC(N1CCCC1)C
Isomeric Smiles
N1(C(CCN)C)CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-6.0400743
LogD (pH = 7.4)
-4.27687
Log P
0.27551788
Molar Refractivity
44.7631
Polarizability
17.811394
Polar Surface Area
29.26
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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