Molecule
ID:60498
General Information
Molecular Formula
C₁₉H₁₅N₃O₄S
Molecular Mass
381.4051
Exact Mass
381.07832698
Charge
0
InChI
InChI=1S/C19H15N3O4S/c23-16(24)10-15-11-27-19(21-15)22-18(26)13-7-4-8-14(9-13)20-17(25)12-5-2-1-3-6-12/h1-9,11H,10H2,(H,20,25)(H,23,24)(H,21,22,26)
InChIKey
QGAMSYPFNVLXQB-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1csc(n1)NC(=O)c1cccc(c1)NC(=O)c1ccccc1
Isomeric Smiles
c1(NC(=O)c2cc(NC(=O)c3ccccc3)ccc2)nc(CC(=O)O)cs1
Calculated Properties
JChem
Acid pKa
3.4721599
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
1.5050483
LogD (pH = 7.4)
0.1354223
Log P
3.5236568
Molar Refractivity
102.7423
Polarizability
37.588524
Polar Surface Area
108.39
Rotatable Bonds
6
Lipinski's Rule of Five
true
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
暂无数据
点击上传数据
References
Loading...
Bioactivity
Loading...