Molecule

ID:74252

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇Cl₂N₃
Molecular Mass
250.16808
Exact Mass
249.07995292
Charge
0
InChI
InChI=1S/C10H15N3.2ClH/c1-4-11-7-9-13(8-1)10-2-5-12-6-3-10;;/h2-3,5-6,11H,1,4,7-9H2;2*1H
InChIKey
RAIWYJZONPBCOT-UHFFFAOYSA-N
Canonic Smiles
N1CCCN(CC1)c1ccncc1.Cl.Cl
Isomeric Smiles
N1(c2ccncc2)CCCNCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.7825274
LogD (pH = 7.4)
-2.6291158
Log P
0.38764864
Molar Refractivity
53.9505
Polarizability
20.574553
Polar Surface Area
28.16
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