Molecule

ID:56244

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅ClN₄O
Molecular Mass
254.716
Exact Mass
254.0934388
Charge
0
InChI
InChI=1S/C11H15ClN4O/c12-10-8-14-9(7-15-10)11(17)13-3-6-16-4-1-2-5-16/h7-8H,1-6H2,(H,13,17)
InChIKey
WAGRVYYIQAZFCU-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ncc(nc1)Cl)NCCN1CCCC1
Isomeric Smiles
N1(CCNC(=O)c2ncc(nc2)Cl)CCCC1
Calculated Properties
JChem
Acid pKa
13.530394
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.2851524
LogD (pH = 7.4)
-0.5149221
Log P
0.24673149
Molar Refractivity
66.7735
Polarizability
25.226513
Polar Surface Area
58.12
Rotatable Bonds
4
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