Molecule

ID:35017

General Information
Structure
Molecular Formula
C₁₄H₂₇N₃O₂
Molecular Mass
269.38308
Exact Mass
269.21032712
Charge
0
InChI
InChI=1S/C14H27N3O2/c1-13(18)17-7-3-14(4-8-17)15-5-2-6-16-9-11-19-12-10-16/h14-15H,2-12H2,1H3
InChIKey
TZYZRTXTLTXIAR-UHFFFAOYSA-N
Canonic Smiles
CC(=O)N1CCC(CC1)NCCCN1CCOCC1
Isomeric Smiles
N1(C(=O)C)CCC(CC1)NCCCN1CCOCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-4.883743
LogD (pH = 7.4)
-3.9867647
Log P
-1.0790741
Molar Refractivity
76.3747
Polarizability
30.013216
Polar Surface Area
44.81
Rotatable Bonds
5
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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