Molecule

ID:31474

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈N₂O₂
Molecular Mass
258.31562
Exact Mass
258.13682783
Charge
0
InChI
InChI=1S/C15H18N2O2/c18-12-13-11-17(15-4-2-1-3-14(13)15)6-5-16-7-9-19-10-8-16/h1-4,11-12H,5-10H2
InChIKey
LHARRKUJJINVHC-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cn(c2c1cccc2)CCN1CCOCC1
Isomeric Smiles
n1(cc(c2c1cccc2)C=O)CCN1CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.8080464
LogD (pH = 7.4)
1.7615603
Log P
1.8083303
Molar Refractivity
75.7188
Polarizability
29.903807
Polar Surface Area
34.47
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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