Molecule

ID:84338

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₄NPS
Molecular Mass
269.385821
Exact Mass
269.1367074
Charge
0
InChI
InChI=1S/C14H24NPS/c1-6-16(17,7-2)15-13-10-8-9-12(11-13)14(3,4)5/h8-11H,6-7H2,1-5H3,(H,15,17)
InChIKey
QUDOFEXHWJRBGV-UHFFFAOYSA-N
Canonic Smiles
CCP(=S)(Nc1cccc(c1)C(C)(C)C)CC
Isomeric Smiles
P(=S)(Nc1cc(ccc1)C(C)(C)C)(CC)CC
Calculated Properties
JChem
Acid pKa
8.735491
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
3.8007658
LogD (pH = 7.4)
3.7828345
Log P
3.801
Molar Refractivity
83.2966
Polarizability
32.807858
Polar Surface Area
12.03
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