Molecule

ID:62411

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇Cl₂N₃O
Molecular Mass
266.16748
Exact Mass
265.07486754
Charge
0
InChI
InChI=1S/C10H15N3O.2ClH/c1-7-12-9(6-10(14)13-7)8-2-4-11-5-3-8;;/h6,8,11H,2-5H2,1H3,(H,12,13,14);2*1H
InChIKey
ZVPUQHCTDDTWKD-UHFFFAOYSA-N
Canonic Smiles
Oc1cc(nc(n1)C)C1CCNCC1.Cl.Cl
Isomeric Smiles
n1c(cc(nc1C)C1CCNCC1)O.Cl.Cl
Calculated Properties
JChem
Acid pKa
13.447673
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.2139652
LogD (pH = 7.4)
-1.3501991
Log P
1.1186047
Molar Refractivity
54.6642
Polarizability
20.839535
Polar Surface Area
58.04
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