Molecule

ID:57384

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₂O
Molecular Mass
180.24684
Exact Mass
180.12626314
Charge
0
InChI
InChI=1S/C10H16N2O/c1-13-10-4-2-3-9(7-10)8-12-6-5-11/h2-4,7,12H,5-6,8,11H2,1H3
InChIKey
UIENRTVFLWKWJO-UHFFFAOYSA-N
Canonic Smiles
NCCNCc1cccc(c1)OC
Isomeric Smiles
c1(cccc(c1)CNCCN)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.8543198
LogD (pH = 7.4)
-1.6696783
Log P
0.5769396
Molar Refractivity
53.719
Polarizability
21.434326
Polar Surface Area
47.28
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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