Molecule

ID:19086

General Information
Structure
Molecular Formula
C₁₃H₂₅N₃O₂
Molecular Mass
255.3565
Exact Mass
255.19467706
Charge
0
InChI
InChI=1S/C13H25N3O2/c1-12(17)16-5-2-13(3-6-16)14-4-7-15-8-10-18-11-9-15/h13-14H,2-11H2,1H3
InChIKey
SNHKBVBCZLOYLR-UHFFFAOYSA-N
Canonic Smiles
CC(=O)N1CCC(CC1)NCCN1CCOCC1
Isomeric Smiles
N1(C(=O)C)CCC(CC1)NCCN1CCOCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-4.395352
LogD (pH = 7.4)
-3.687038
Log P
-1.1390339
Molar Refractivity
71.5093
Polarizability
28.173874
Polar Surface Area
44.81
Rotatable Bonds
4
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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