Molecule

ID:119480

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈N₂O₂
Molecular Mass
246.30492
Exact Mass
246.13682783
Charge
0
InChI
InChI=1S/C14H18N2O2/c1-18-8-4-7-15-10-11-9-14(17)16-13-6-3-2-5-12(11)13/h2-3,5-6,9,15H,4,7-8,10H2,1H3,(H,16,17)
InChIKey
WWAUZVWCKFWJIE-UHFFFAOYSA-N
Canonic Smiles
COCCCNCc1cc(O)nc2c1cccc2
Isomeric Smiles
n1c(cc(c2c1cccc2)CNCCCOC)O
Calculated Properties
JChem
Acid pKa
11.302889
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.1597627
LogD (pH = 7.4)
0.027814602
Log P
1.8784517
Molar Refractivity
71.4306
Polarizability
28.992846
Polar Surface Area
54.38
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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