Molecule

ID:13343

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄N₂O₂
Molecular Mass
264.36326
Exact Mass
264.18377802
Charge
0
InChI
InChI=1S/C15H24N2O2/c1-18-15-6-3-2-5-14(15)13-16-7-4-8-17-9-11-19-12-10-17/h2-3,5-6,16H,4,7-13H2,1H3
InChIKey
WWBKAIQMRPAGKO-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1CNCCCN1CCOCC1
Isomeric Smiles
c1ccc(c(c1)CNCCCN1CCOCC1)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.5827453
LogD (pH = 7.4)
-0.65277785
Log P
1.2340271
Molar Refractivity
77.7282
Polarizability
30.595778
Polar Surface Area
33.73
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
Molecule Details
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References
Bioactivity
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