Molecule

ID:125014

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅ClN₄O₂
Molecular Mass
258.7047
Exact Mass
258.08835342
Charge
0
InChI
InChI=1S/C10H15ClN4O2/c1-14(2)6-5-12-9(16)7-15-10(17)4-3-8(11)13-15/h3-4H,5-7H2,1-2H3,(H,12,16)
InChIKey
YLOBNNLRSCQYAR-UHFFFAOYSA-N
Canonic Smiles
CN(CCNC(=O)Cn1nc(Cl)ccc1=O)C
Isomeric Smiles
n1(nc(ccc1=O)Cl)CC(=O)NCCN(C)C
Calculated Properties
JChem
Acid pKa
14.533364
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.6121113
LogD (pH = 7.4)
-1.8636147
Log P
-0.7239895
Molar Refractivity
66.4641
Polarizability
24.79231
Polar Surface Area
65.01
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