Molecule

ID:34062

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂O₃S
Molecular Mass
270.34792
Exact Mass
270.10381345
Charge
0
InChI
InChI=1S/C12H18N2O3S/c1-17-11-2-4-12(5-3-11)18(15,16)14-8-6-10(13)7-9-14/h2-5,10H,6-9,13H2,1H3
InChIKey
BGTORACXJFLSNT-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)N
Isomeric Smiles
C1N(CCC(C1)N)S(=O)(=O)c1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.9376225
LogD (pH = 7.4)
-2.36729
Log P
0.08013525
Molar Refractivity
69.8543
Polarizability
28.141712
Polar Surface Area
72.63
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