Molecule

ID:35302

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄N₂O
Molecular Mass
250.29516
Exact Mass
250.11061308
Charge
0
InChI
InChI=1S/C16H14N2O/c1-11-5-7-13(8-6-11)15-14(10-19)18-9-3-4-12(2)16(18)17-15/h3-10H,1-2H3
InChIKey
MSWITZHKOCCTNO-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(nc2n1cccc2C)c1ccc(cc1)C
Isomeric Smiles
n12c(nc(c1C=O)c1ccc(cc1)C)c(ccc2)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4217856
LogD (pH = 7.4)
3.4515772
Log P
3.4519713
Molar Refractivity
77.2445
Polarizability
29.716242
Polar Surface Area
34.37
Rotatable Bonds
2
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