Molecule
ID:122805
General Information
Molecular Formula
C₁₄H₂₃N₃O
Molecular Mass
249.35192
Exact Mass
249.18411237
Charge
0
InChI
InChI=1S/C14H23N3O/c1-16-7-9-17(10-8-16)14(11-15)12-3-5-13(18-2)6-4-12/h3-6,14H,7-11,15H2,1-2H3
InChIKey
HAQHVAVMAGEESU-UHFFFAOYSA-N
Canonic Smiles
NCC(c1ccc(cc1)OC)N1CCN(CC1)C
Isomeric Smiles
N1(C(c2ccc(cc2)OC)CN)CCN(CC1)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-4.4381833
LogD (pH = 7.4)
-1.3631047
Log P
0.86687416
Molar Refractivity
74.734
Polarizability
29.601398
Polar Surface Area
41.73
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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