Molecule

ID:4377

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄N₂O
Molecular Mass
250.29516
Exact Mass
250.11061308
Charge
0
InChI
InChI=1S/C16H14N2O/c1-11-7-3-6-10-15(11)18-12(2)17-14-9-5-4-8-13(14)16(18)19/h3-10H,1-2H3
InChIKey
JEYCTXHKTXCGPB-UHFFFAOYSA-N
Canonic Smiles
Cc1nc2ccccc2c(=O)n1c1ccccc1C
Isomeric Smiles
O=c1n(c2c(cccc2)C)c(nc2c1cccc2)C
Calculated Properties
JChem
LogD (pH = 7.4)
3.17
LogD (pH = 5.5)
3.17
Log P
3.17
Rotatable Bonds
0
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
1.18
Polar Surface Area
32.67
Polarizability
27.32
Molar Refractivity
77.11
LOG S
-3.81
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
Loading...
References
Loading...
Bioactivity
Loading...