Molecule

ID:24474

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈N₂O
Molecular Mass
182.26272
Exact Mass
182.14191321
Charge
0
InChI
InChI=1S/C10H18N2O/c1-2-11-6-4-7-12-9-10-5-3-8-13-10/h3,5,8,11-12H,2,4,6-7,9H2,1H3
InChIKey
HIVXAYKDDRGBCT-UHFFFAOYSA-N
Canonic Smiles
CCNCCCNCc1ccco1
Isomeric Smiles
c1(occc1)CNCCCNCC
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-4.0515594
LogD (pH = 7.4)
-2.3836756
Log P
0.6442056
Molar Refractivity
54.0353
Polarizability
21.293835
Polar Surface Area
37.2
Rotatable Bonds
7
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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