Molecule

ID:79377

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂O
Molecular Mass
240.30034
Exact Mass
240.12626314
Charge
0
InChI
InChI=1S/C15H16N2O/c1-10-7-8-14(12-5-2-4-11(10)12)18-15-13(16)6-3-9-17-15/h3,6-9H,2,4-5,16H2,1H3
InChIKey
FOMNPDKHJZXHDG-UHFFFAOYSA-N
Canonic Smiles
Nc1cccnc1Oc1ccc(c2c1CCC2)C
Isomeric Smiles
O(c1c2c(c(cc1)C)CCC2)c1ncccc1N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.5422056
LogD (pH = 7.4)
3.5424955
Log P
3.542499
Molar Refractivity
73.0782
Polarizability
27.311562
Polar Surface Area
48.14
Rotatable Bonds
2
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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