Molecule

ID:50272

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂O
Molecular Mass
240.30034
Exact Mass
240.12626314
Charge
0
InChI
InChI=1S/C15H16N2O/c18-15(17-10-8-16-9-11-17)14-7-3-5-12-4-1-2-6-13(12)14/h1-7,16H,8-11H2
InChIKey
NARSWBLQNUFOIM-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cccc2c1cccc2)N1CCNCC1
Isomeric Smiles
C(=O)(c1c2c(ccc1)cccc2)N1CCNCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.5492245
LogD (pH = 7.4)
1.1646657
Log P
1.7247866
Molar Refractivity
72.1354
Polarizability
28.879011
Polar Surface Area
32.34
Rotatable Bonds
1
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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