Molecule

ID:55438

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀ClN₅O
Molecular Mass
191.6188
Exact Mass
191.05738765
Charge
0
InChI
InChI=1S/C5H9N5O.ClH/c1-10(2)4(11)3-7-5(6)9-8-3;/h1-2H3,(H3,6,7,8,9);1H
InChIKey
PQLDZHPFYKIKFZ-UHFFFAOYSA-N
Canonic Smiles
CN(C(=O)c1[nH]nc(n1)N)C.Cl
Isomeric Smiles
c1(nc(n[nH]1)N)C(=O)N(C)C.Cl
Calculated Properties
JChem
Acid pKa
7.8501
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.51003164
LogD (pH = 7.4)
-0.63563734
Log P
-0.5080939
Molar Refractivity
41.6259
Polarizability
14.050161
Polar Surface Area
87.9
Rotatable Bonds
1
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