Molecule

ID:23331

General Information
Structure
Molecular Formula
C₁₅H₁₆N₂O
Molecular Mass
240.30034
Exact Mass
240.12626314
Charge
0
InChI
InChI=1S/C15H16N2O/c1-10-6-7-14(11(2)8-10)17-15(18)12-4-3-5-13(16)9-12/h3-9H,16H2,1-2H3,(H,17,18)
InChIKey
KUOKLERLHHRXPU-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)C)NC(=O)c1cccc(c1)N
Isomeric Smiles
C(=O)(Nc1c(cc(cc1)C)C)c1cc(N)ccc1
Calculated Properties
JChem
Acid pKa
12.47453
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.261258
LogD (pH = 7.4)
3.2630248
Log P
3.2630475
Molar Refractivity
76.3743
Polarizability
27.615715
Polar Surface Area
55.12
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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