Molecule

ID:65141

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂O
Molecular Mass
240.30034
Exact Mass
240.12626314
Charge
0
InChI
InChI=1S/C15H16N2O/c18-15-7-6-13-11-17(9-8-14(13)16-15)10-12-4-2-1-3-5-12/h1-7H,8-11H2,(H,16,18)
InChIKey
BKSOOBNVMGYWAN-UHFFFAOYSA-N
Canonic Smiles
O=c1ccc2c([nH]1)CCN(C2)Cc1ccccc1
Isomeric Smiles
c1c(=O)[nH]c2c(c1)CN(CC2)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
11.353235
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2773534
LogD (pH = 7.4)
0.48108256
Log P
1.1463712
Molar Refractivity
74.4083
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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