Molecule

ID:73294

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₇N₃O₂
Molecular Mass
269.38308
Exact Mass
269.21032712
Charge
0
InChI
InChI=1S/C14H27N3O2/c1-11(2)17(12(3)4)9-7-15-13(18)10-16-8-5-6-14(16)19/h11-12H,5-10H2,1-4H3,(H,15,18)
InChIKey
ZULJGOSFKWFVRX-UHFFFAOYSA-N
Canonic Smiles
O=C(CN1CCCC1=O)NCCN(C(C)C)C(C)C
Isomeric Smiles
C(C(=O)NCCN(C(C)C)C(C)C)N1C(=O)CCC1
Calculated Properties
JChem
Acid pKa
15.849032
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.3008301
LogD (pH = 7.4)
-2.0830343
Log P
0.10419401
Molar Refractivity
76.312
Polarizability
29.734663
Polar Surface Area
52.65
Rotatable Bonds
7
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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