Molecule

ID:17295

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₅N₃O₂
Molecular Mass
279.3779
Exact Mass
279.19467706
Charge
0
InChI
InChI=1S/C15H25N3O2/c1-11-8-18(12(2)15(11)13(3)19)10-14(20)9-17-6-4-16-5-7-17/h8,14,16,20H,4-7,9-10H2,1-3H3
InChIKey
XMPPMSGGOHTOEN-UHFFFAOYSA-N
Canonic Smiles
OC(Cn1cc(c(c1C)C(=O)C)C)CN1CCNCC1
Isomeric Smiles
n1(c(c(c(c1)C)C(=O)C)C)CC(CN1CCNCC1)O
Calculated Properties
JChem
Acid pKa
14.415167
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.7501721
LogD (pH = 7.4)
-1.4265928
Log P
0.39981744
Molar Refractivity
81.0442
Polarizability
31.05721
Polar Surface Area
57.5
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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