Molecule

ID:21109

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₃N₃O₂
Molecular Mass
289.37272
Exact Mass
289.17902699
Charge
0
InChI
InChI=1S/C16H23N3O2/c1-13(20)18-8-10-19(11-9-18)14-2-4-15(5-3-14)21-16-6-7-17-12-16/h2-5,16-17H,6-12H2,1H3
InChIKey
WHZQTJNNLPYRKL-UHFFFAOYSA-N
Canonic Smiles
CC(=O)N1CCN(CC1)c1ccc(cc1)OC1CNCC1
Isomeric Smiles
N1(C(=O)C)CCN(c2ccc(OC3CCNC3)cc2)CC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.6607013
LogD (pH = 7.4)
-2.196043
Log P
0.5814308
Molar Refractivity
82.5621
Polarizability
31.83584
Polar Surface Area
44.81
Rotatable Bonds
3
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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