Molecule

ID:66293

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁N₃O
Molecular Mass
247.33604
Exact Mass
247.16846231
Charge
0
InChI
InChI=1S/C14H21N3O/c1-3-13(17-7-9-18-10-8-17)4-2-12(1)14-11-15-5-6-16-14/h1-4,14-16H,5-11H2
InChIKey
RTAZSKWNEMNKGR-UHFFFAOYSA-N
Canonic Smiles
C1NCC(NC1)c1ccc(cc1)N1CCOCC1
Isomeric Smiles
N1(CCOCC1)c1ccc(cc1)C1NCCNC1
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.219502
LogD (pH = 7.4)
-0.7959684
Log P
0.94497675
Molar Refractivity
73.2347
Polarizability
28.48753
Polar Surface Area
36.53
Rotatable Bonds
2
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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