Molecule

ID:23570

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₈N₂O₄
Molecular Mass
338.35722
Exact Mass
338.12665707
Charge
0
InChI
InChI=1S/C19H18N2O4/c1-2-21(16-6-4-3-5-7-16)19(25)14-8-10-15(11-9-14)20-17(22)12-13-18(23)24/h3-13H,2H2,1H3,(H,20,22)(H,23,24)/b13-12+
InChIKey
YZYLIFLUHDJFRM-OUKQBFOZSA-N
Canonic Smiles
CCN(C(=O)c1ccc(cc1)NC(=O)/C=C/C(=O)O)c1ccccc1
Isomeric Smiles
C(=O)(N(c1ccccc1)CC)c1ccc(NC(=O)/C=C/C(=O)O)cc1
Calculated Properties
JChem
Acid pKa
3.187284
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.4169113
LogD (pH = 7.4)
-0.74150777
Log P
2.7061465
Molar Refractivity
96.2823
Polarizability
35.459515
Polar Surface Area
86.71
Rotatable Bonds
6
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