Molecule

ID:16965

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀N₂O
Molecular Mass
184.2786
Exact Mass
184.15756327
Charge
0
InChI
InChI=1S/C10H20N2O/c1-2-10(8-11-3-1)9-12-4-6-13-7-5-12/h10-11H,1-9H2
InChIKey
ALFVQZQTMWKLKX-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CN1)CN1CCOCC1
Isomeric Smiles
C1(CN2CCOCC2)CCCNC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.2335443
LogD (pH = 7.4)
-2.7644305
Log P
0.11758468
Molar Refractivity
53.9382
Polarizability
21.43625
Polar Surface Area
24.5
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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