Molecule

ID:54682

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃N₃O
Molecular Mass
249.35192
Exact Mass
249.18411237
Charge
0
InChI
InChI=1S/C14H23N3O/c1-11(2)16-6-8-17(9-7-16)12-4-5-13(15)14(10-12)18-3/h4-5,10-11H,6-9,15H2,1-3H3
InChIKey
IYFHZZYIEKQGQT-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1N)N1CCN(CC1)C(C)C
Isomeric Smiles
Nc1c(cc(cc1)N1CCN(CC1)C(C)C)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.4247825
LogD (pH = 7.4)
0.609344
Log P
1.7151951
Molar Refractivity
76.8677
Polarizability
28.817284
Polar Surface Area
41.73
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
References
Bioactivity
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