Molecule

ID:117720

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁N₃O₂
Molecular Mass
263.33544
Exact Mass
263.16337693
Charge
0
InChI
InChI=1S/C14H21N3O2/c15-6-7-16-8-10-17(11-9-16)14(18)19-12-13-4-2-1-3-5-13/h1-5H,6-12,15H2
InChIKey
QSFXITXPTXIAOB-UHFFFAOYSA-N
Canonic Smiles
NCCN1CCN(CC1)C(=O)OCc1ccccc1
Isomeric Smiles
C(=O)(N1CCN(CC1)CCN)OCc1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.2343497
LogD (pH = 7.4)
-1.1301609
Log P
0.8109638
Molar Refractivity
74.4954
Polarizability
29.279846
Polar Surface Area
58.8
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
No Data Available
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Molecule Details
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References
Bioactivity
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