Molecule

ID:17230

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₂O₂
Molecular Mass
196.24624
Exact Mass
196.12117776
Charge
0
InChI
InChI=1S/C10H16N2O2/c11-8-9(10-2-1-5-14-10)12-3-6-13-7-4-12/h1-2,5,9H,3-4,6-8,11H2
InChIKey
NRMDJRDSDKGPFH-UHFFFAOYSA-N
Canonic Smiles
NCC(c1ccco1)N1CCOCC1
Isomeric Smiles
C(N1CCOCC1)(c1ccco1)CN
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.8059871
LogD (pH = 7.4)
-1.2577153
Log P
0.019172037
Molar Refractivity
53.6861
Polarizability
21.257296
Polar Surface Area
51.63
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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