Molecule

ID:44334

General Information
Structure
Molecular Formula
C₁₄H₂₇N₃O₂
Molecular Mass
269.38308
Exact Mass
269.21032712
Charge
0
InChI
InChI=1S/C14H27N3O2/c1-14(2,3)19-13(18)17-8-4-12(5-9-17)16-10-6-15-7-11-16/h12,15H,4-11H2,1-3H3
InChIKey
XMGAKAOAPIZUJG-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC(CC1)N1CCNCC1)OC(C)(C)C
Isomeric Smiles
C(=O)(N1CCC(N2CCNCC2)CC1)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.7116368
LogD (pH = 7.4)
-1.3563825
Log P
0.5811924
Molar Refractivity
75.895
Polarizability
30.013216
Polar Surface Area
44.81
Rotatable Bonds
3
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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