Molecule

ID:13541

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈N₂O
Molecular Mass
242.31622
Exact Mass
242.14191321
Charge
0
InChI
InChI=1S/C15H18N2O/c1-12(13-6-8-15(18-2)9-7-13)17-11-14-5-3-4-10-16-14/h3-10,12,17H,11H2,1-2H3
InChIKey
JINUFJPBUFJVCR-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C(NCc1ccccn1)C
Isomeric Smiles
c1c(ccc(c1)C(NCc1ncccc1)C)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.031693175
LogD (pH = 7.4)
1.7566538
Log P
2.378771
Molar Refractivity
72.1215
Polarizability
28.61146
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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