Molecule

ID:23348

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂O
Molecular Mass
240.30034
Exact Mass
240.12626314
Charge
0
InChI
InChI=1S/C15H16N2O/c1-11(12-6-3-2-4-7-12)17-15(18)13-8-5-9-14(16)10-13/h2-11H,16H2,1H3,(H,17,18)
InChIKey
ZNBFXLWERBRCIT-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)C(=O)NC(c1ccccc1)C
Isomeric Smiles
C(=O)(NC(c1ccccc1)C)c1cc(N)ccc1
Calculated Properties
JChem
Acid pKa
15.215485
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.3571532
LogD (pH = 7.4)
2.3596525
Log P
2.3596845
Molar Refractivity
73.7649
Polarizability
27.58438
Polar Surface Area
55.12
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation