Molecule

ID:84334

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₄N₂P₂S₂
Molecular Mass
404.553482
Exact Mass
404.16386436
Charge
0
InChI
InChI=1S/C18H34N2P2S2/c1-8-21(23,9-2)19-16-13-12-15(18(5,6)7)14-17(16)20-22(24,10-3)11-4/h12-14H,8-11H2,1-7H3,(H,19,23)(H,20,24)
InChIKey
CIXUVSYMSLIIGV-UHFFFAOYSA-N
Canonic Smiles
CCP(=S)(Nc1cc(ccc1NP(=S)(CC)CC)C(C)(C)C)CC
Isomeric Smiles
P(=S)(Nc1c(ccc(c1)C(C)(C)C)NP(=S)(CC)CC)(CC)CC
Calculated Properties
JChem
Acid pKa
8.3087845
H Acceptors
0
H Donor
2
LogD (pH = 5.5)
3.9275744
LogD (pH = 7.4)
3.8803596
Log P
3.9282
Molar Refractivity
121.8693
Polarizability
47.938168
Polar Surface Area
24.06
Rotatable Bonds
9
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