Molecule

ID:62503

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇Cl₂N₃
Molecular Mass
250.16808
Exact Mass
249.07995292
Charge
0
InChI
InChI=1S/C10H15N3.2ClH/c1-3-11-4-2-9(1)7-10-8-12-5-6-13-10;;/h5-6,8-9,11H,1-4,7H2;2*1H
InChIKey
QOFKJSXOFREZLM-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)Cc1nccnc1.Cl.Cl
Isomeric Smiles
N1CCC(Cc2nccnc2)CC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.2701347
LogD (pH = 7.4)
-2.8131554
Log P
-0.038549498
Molar Refractivity
51.3424
Polarizability
20.30581
Polar Surface Area
37.81
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