Molecule

ID:22732

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂O
Molecular Mass
240.30034
Exact Mass
240.12626314
Charge
0
InChI
InChI=1S/C15H16N2O/c1-11-7-8-13(16)10-14(11)17-15(18)9-12-5-3-2-4-6-12/h2-8,10H,9,16H2,1H3,(H,17,18)
InChIKey
HCBMWHPBLGKGFV-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1cc(N)ccc1C)Cc1ccccc1
Isomeric Smiles
c1(NC(=O)Cc2ccccc2)cc(N)ccc1C
Calculated Properties
JChem
Acid pKa
14.013688
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.6965427
LogD (pH = 7.4)
2.7293563
Log P
2.7297914
Molar Refractivity
75.3845
Polarizability
27.71792
Polar Surface Area
55.12
Rotatable Bonds
3
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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