Molecule

ID:14396

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆N₂O
Molecular Mass
252.31104
Exact Mass
252.12626314
Charge
0
InChI
InChI=1S/C16H16N2O/c1-9-7-10(2)15-14(8-9)18-16(19-15)12-5-4-6-13(17)11(12)3/h4-8H,17H2,1-3H3
InChIKey
GERFELCFNLFVDL-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)c2c(c1)nc(o2)c1cccc(c1C)N
Isomeric Smiles
c12c(nc(o1)c1c(c(ccc1)N)C)cc(cc2C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.0528064
LogD (pH = 7.4)
4.055934
Log P
4.055974
Molar Refractivity
87.6487
Polarizability
30.600069
Polar Surface Area
52.05
Rotatable Bonds
1
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