Molecule

ID:24389

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄N₂O
Molecular Mass
154.20956
Exact Mass
154.11061308
Charge
0
InChI
InChI=1S/C8H14N2O/c9-4-2-5-10-7-8-3-1-6-11-8/h1,3,6,10H,2,4-5,7,9H2
InChIKey
CJYLPHZWTNERHX-UHFFFAOYSA-N
Canonic Smiles
NCCCNCc1ccco1
Isomeric Smiles
c1(occc1)CNCCCN
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-5.092861
LogD (pH = 7.4)
-3.053275
Log P
-0.14518277
Molar Refractivity
44.5121
Polarizability
17.606663
Polar Surface Area
51.19
Rotatable Bonds
5
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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