Molecule
ID:121686
General Information
Molecular Formula
C₁₅H₁₄N₂O₄
Molecular Mass
286.28266
Exact Mass
286.09535694
Charge
0
InChI
InChI=1S/C15H14N2O4/c18-13-12-11(14(19)20)10-3-4-15(12,21-10)8-17(13)7-9-2-1-5-16-6-9/h1-6,10-12H,7-8H2,(H,19,20)/t10-,11?,12?,15-/m1/s1
InChIKey
SADYJQNJLLWXCC-TVRADYJESA-N
Canonic Smiles
OC(=O)C1[C@@H]2C=C[C@@]3(C1C(=O)N(C3)Cc1cccnc1)O2
Isomeric Smiles
C12[C@]3(O[C@H](C2C(=O)O)C=C3)CN(C1=O)Cc1cnccc1
Calculated Properties
JChem
Acid pKa
3.69782
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-1.9448246
LogD (pH = 7.4)
-3.5135534
Log P
-1.2868166
Molar Refractivity
72.4072
Polarizability
27.904861
Polar Surface Area
79.73
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
No Data Available
Click here to submit data
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
Loading...
Bioactivity
Loading...