Molecule

ID:64950

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂O
Molecular Mass
240.30034
Exact Mass
240.12626314
Charge
0
InChI
InChI=1S/C15H16N2O/c18-15-14-7-9-17(11-13(14)6-8-16-15)10-12-4-2-1-3-5-12/h1-6,8H,7,9-11H2,(H,16,18)
InChIKey
RGSOMLGEDNNJIO-UHFFFAOYSA-N
Canonic Smiles
O=c1[nH]ccc2c1CCN(C2)Cc1ccccc1
Isomeric Smiles
C1N(Cc2c(C1)c(=O)[nH]cc2)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
11.554237
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.3862191
LogD (pH = 7.4)
0.38528347
Log P
1.3346893
Molar Refractivity
73.0669
Polarizability
27.707106
Polar Surface Area
32.34
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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