Molecule

ID:36170

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅N₃OS
Molecular Mass
225.3106
Exact Mass
225.09358312
Charge
0
InChI
InChI=1S/C10H15N3OS/c1-8-2-4-9(5-3-8)12-10(15)13(11)6-7-14/h2-5,14H,6-7,11H2,1H3,(H,12,15)
InChIKey
DLKKBXIXKPTCHZ-UHFFFAOYSA-N
Canonic Smiles
OCCN(C(=S)Nc1ccc(cc1)C)N
Isomeric Smiles
C(=S)(Nc1ccc(cc1)C)N(N)CCO
Calculated Properties
JChem
Acid pKa
9.463016
H Acceptors
2
H Donor
3
LogD (pH = 5.5)
1.507006
LogD (pH = 7.4)
1.5141097
Log P
1.5178
Molar Refractivity
68.3029
Polarizability
25.371416
Polar Surface Area
61.52
Rotatable Bonds
3
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