Molecule

ID:13142

General Information
Structure
Molecular Formula
C₈H₁₈N₂
Molecular Mass
142.24192
Exact Mass
142.14699859
Charge
0
InChI
InChI=1S/C8H18N2/c9-5-8-10-6-3-1-2-4-7-10/h1-9H2
InChIKey
QHRBDFUMZORTQD-UHFFFAOYSA-N
Canonic Smiles
NCCN1CCCCCC1
Isomeric Smiles
C1CCCN(CC1)CCN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.1270022
LogD (pH = 7.4)
-1.9547791
Log P
0.6881204
Molar Refractivity
44.6809
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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