Molecule

ID:55159

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆Cl₂N₄O
Molecular Mass
279.16624
Exact Mass
278.07011651
Charge
0
InChI
InChI=1S/C10H14N4O.2ClH/c11-9(15)8-2-1-3-13-10(8)14-6-4-12-5-7-14;;/h1-3,12H,4-7H2,(H2,11,15);2*1H
InChIKey
RKOAMAYITCGTTH-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1cccnc1N1CCNCC1.Cl.Cl
Isomeric Smiles
C1NCCN(C1)c1ncccc1C(=O)N.Cl.Cl
Calculated Properties
JChem
Acid pKa
13.743005
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.1658099
LogD (pH = 7.4)
-1.5727282
Log P
-0.2272133
Molar Refractivity
58.477
Polarizability
21.580397
Polar Surface Area
71.25
Rotatable Bonds
2
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