Molecule

ID:106393

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂O₄
Molecular Mass
288.29854
Exact Mass
288.111007
Charge
0
InChI
InChI=1S/C15H16N2O4/c1-8-4-14(19)21-13-5-9(2-3-11(8)13)17-15(20)12-6-10(18)7-16-12/h2-5,10,12,16,18H,6-7H2,1H3,(H,17,20)/t10-,12+/m1/s1
InChIKey
PCWCKAVECMRKHV-PWSUYJOCSA-N
Canonic Smiles
O[C@H]1CN[C@@H](C1)C(=O)Nc1ccc2c(c1)oc(=O)cc2C
Isomeric Smiles
Cc1cc(=O)oc2c1ccc(NC(=O)[C@H]1NC[C@@H](C1)O)c2
Calculated Properties
JChem
Acid pKa
13.029269
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-2.657417
LogD (pH = 7.4)
-1.0861472
Log P
0.29897127
Molar Refractivity
77.4321
Polarizability
29.391504
Polar Surface Area
87.66
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