Molecule
ID:52126
General Information
Molecular Formula
C₇H₁₇N₃S
Molecular Mass
175.29498
Exact Mass
175.11431856
Charge
0
InChI
InChI=1S/C7H17N3S/c1-2-3-4-5-6-9-7(11)10-8/h2-6,8H2,1H3,(H2,9,10,11)
InChIKey
JYGCXTZCHMEVCG-UHFFFAOYSA-N
Canonic Smiles
CCCCCCNC(=S)NN
Isomeric Smiles
NNC(=S)NCCCCCC
Calculated Properties
JChem
Acid pKa
14.007449
H Acceptors
1
H Donor
3
LogD (pH = 5.5)
1.6566632
LogD (pH = 7.4)
1.66615
Log P
1.6662724
Molar Refractivity
53.5899
Polarizability
20.76997
Polar Surface Area
50.08
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...