Molecule

ID:86248

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀N₄O₄S₂
Molecular Mass
374.3943
Exact Mass
374.01434682
Charge
0
InChI
InChI=1S/C15H10N4O4S2/c20-17-9-3-1-5-13(17)24-12-8-7-11(19(22)23)15(16-12)25-14-6-2-4-10-18(14)21/h1-10H
InChIKey
YJGAVQRLUFDPSN-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(nc1Sc1cccc[n+]1[O-])Sc1cccc[n+]1[O-]
Isomeric Smiles
[N+](=O)(c1ccc(nc1Sc1cccc[n+]1[O-])Sc1cccc[n+]1[O-])[O-]
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
2.5200682
LogD (pH = 7.4)
2.520069
Log P
2.520069
Molar Refractivity
98.7298
Polarizability
35.836773
Polar Surface Area
109.63
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
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
Bioactivity
Navigation