Molecule

ID:76056

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁N₃O₂
Molecular Mass
263.33544
Exact Mass
263.16337693
Charge
0
InChI
InChI=1S/C14H21N3O2/c1-2-19-14(18)12-4-7-17(8-5-12)13-9-11(10-15)3-6-16-13/h3,6,9,12H,2,4-5,7-8,10,15H2,1H3
InChIKey
BMBWEVVLGSEYRI-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCN(CC1)c1nccc(c1)CN
Isomeric Smiles
n1c(cc(cc1)CN)N1CCC(CC1)C(=O)OCC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.8514239
LogD (pH = 7.4)
-0.79046905
Log P
1.1596559
Molar Refractivity
75.0162
Polarizability
28.703281
Polar Surface Area
68.45
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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