Molecule

ID:24568

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈N₂
Molecular Mass
142.24192
Exact Mass
142.14699859
Charge
0
InChI
InChI=1S/C8H18N2/c1-10-7-3-2-4-8(10)5-6-9/h8H,2-7,9H2,1H3
InChIKey
JHOVBQVZOXCQSI-UHFFFAOYSA-N
Canonic Smiles
NCCC1CCCCN1C
Isomeric Smiles
N1(C(CCN)CCCC1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-5.332094
LogD (pH = 7.4)
-3.219664
Log P
0.3632786
Molar Refractivity
44.6155
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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