Molecule

ID:121970

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉N₃O₃S
Molecular Mass
285.36256
Exact Mass
285.11471248
Charge
0
InChI
InChI=1S/C12H19N3O3S/c1-12(2,3)18-11(16)15-7-5-6-8(15)9-13-14-10(17-9)19-4/h8H,5-7H2,1-4H3/t8-/m0/s1
InChIKey
HEOGZQYGRHKFOS-QMMMGPOBSA-N
Canonic Smiles
CSc1nnc(o1)[C@@H]1CCCN1C(=O)OC(C)(C)C
Isomeric Smiles
c1(oc(nn1)SC)[C@H]1N(C(=O)OC(C)(C)C)CCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.7996148
LogD (pH = 7.4)
1.7996148
Log P
1.7996148
Molar Refractivity
74.0722
Polarizability
28.191553
Polar Surface Area
68.46
Rotatable Bonds
4
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