Molecule
ID:122018
General Information
Molecular Formula
C₁₅H₂₃N₃O
Molecular Mass
261.36262
Exact Mass
261.18411237
Charge
0
InChI
InChI=1S/C15H23N3O/c1-12(2)11-15(19)18-9-7-17(8-10-18)14-5-3-13(16)4-6-14/h3-6,12H,7-11,16H2,1-2H3
InChIKey
FCKWWRKXPMOIMP-UHFFFAOYSA-N
Canonic Smiles
CC(CC(=O)N1CCN(CC1)c1ccc(cc1)N)C
Isomeric Smiles
N1(C(=O)CC(C)C)CCN(c2ccc(N)cc2)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2465428
LogD (pH = 7.4)
1.7462521
Log P
1.7585013
Molar Refractivity
79.2848
Polarizability
29.660326
Polar Surface Area
49.57
Rotatable Bonds
3
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
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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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