Molecule

ID:37847

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₂N₂O
Molecular Mass
186.29448
Exact Mass
186.17321333
Charge
0
InChI
InChI=1S/C10H22N2O/c1-12(8-3-9-13-2)10-4-6-11-7-5-10/h10-11H,3-9H2,1-2H3
InChIKey
IMJQAFDJHRCDGP-UHFFFAOYSA-N
Canonic Smiles
COCCCN(C1CCNCC1)C
Isomeric Smiles
C1NCCC(C1)N(CCCOC)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-5.9248495
LogD (pH = 7.4)
-3.7848024
Log P
-0.15308811
Molar Refractivity
56.0534
Polarizability
22.168617
Polar Surface Area
24.5
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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