Molecule

ID:15885

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₄N₂O₄S
Molecular Mass
316.41636
Exact Mass
316.14567826
Charge
0
InChI
InChI=1S/C14H22N2.H2O4S/c15-14-9-5-11-16(12-14)10-4-8-13-6-2-1-3-7-13;1-5(2,3)4/h1-3,6-7,14H,4-5,8-12,15H2;(H2,1,2,3,4)
InChIKey
HCGQJULCGLLCAW-UHFFFAOYSA-N
Canonic Smiles
OS(=O)(=O)O.NC1CCCN(C1)CCCc1ccccc1
Isomeric Smiles
C1C(CN(CC1)CCCc1ccccc1)N.O=S(=O)(O)O
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.497848
LogD (pH = 7.4)
-0.25875753
Log P
2.3164532
Molar Refractivity
69.1177
Polarizability
27.369953
Polar Surface Area
29.26
Rotatable Bonds
4
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