Molecule

ID:34546

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₈N₂
Molecular Mass
224.38552
Exact Mass
224.22524891
Charge
0
InChI
InChI=1S/C14H28N2/c1-2-13-5-10-16(11-6-13)12-7-14-3-8-15-9-4-14/h13-15H,2-12H2,1H3
InChIKey
QBNLOYSRYBLXQT-UHFFFAOYSA-N
Canonic Smiles
CCC1CCN(CC1)CCC1CCNCC1
Isomeric Smiles
C1NCCC(C1)CCN1CCC(CC1)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.4629774
LogD (pH = 7.4)
-3.25049
Log P
2.2430973
Molar Refractivity
70.9321
Polarizability
28.150137
Polar Surface Area
15.27
Rotatable Bonds
4
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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