Molecule

ID:14615

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁N₃O₂
Molecular Mass
263.33544
Exact Mass
263.16337693
Charge
0
InChI
InChI=1S/C14H21N3O2/c1-19-13-6-5-11(15)9-12(13)16-14(18)10-17-7-3-2-4-8-17/h5-6,9H,2-4,7-8,10,15H2,1H3,(H,16,18)
InChIKey
BXLWOFOHAHJOLQ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1NC(=O)CN1CCCCC1)N
Isomeric Smiles
c1(c(ccc(c1)N)OC)NC(=O)CN1CCCCC1
Calculated Properties
JChem
Acid pKa
11.949789
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.592479
LogD (pH = 7.4)
0.81665766
Log P
0.9662236
Molar Refractivity
77.6556
Polarizability
28.87209
Polar Surface Area
67.59
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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