Molecule

ID:16696

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆N₂O
Molecular Mass
228.28964
Exact Mass
228.12626314
Charge
0
InChI
InChI=1S/C14H16N2O/c1-17-14-7-5-13(6-8-14)16-11-9-12-4-2-3-10-15-12/h2-8,10,16H,9,11H2,1H3
InChIKey
NXRQNMNZSKSLEE-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)NCCc1ccccn1
Isomeric Smiles
c1(ccc(cc1)OC)NCCc1ccccn1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.4682425
LogD (pH = 7.4)
2.0974035
Log P
2.113638
Molar Refractivity
69.3479
Polarizability
26.296457
Polar Surface Area
34.15
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
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Molecule Details
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References
Bioactivity
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