Molecule

ID:15911

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇Cl₂N₃
Molecular Mass
274.18948
Exact Mass
273.07995292
Charge
0
InChI
InChI=1S/C12H15N3.2ClH/c1-15-9-8-14-12(15)7-4-10-2-5-11(13)6-3-10;;/h2-3,5-6,8-9H,4,7,13H2,1H3;2*1H
InChIKey
XYMDESUQALAEGZ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)CCc1nccn1C.Cl.Cl
Isomeric Smiles
c1nc(n(c1)C)CCc1ccc(cc1)N.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.60554254
LogD (pH = 7.4)
1.4502927
Log P
1.6514992
Molar Refractivity
62.3735
Polarizability
23.17101
Polar Surface Area
43.84
Rotatable Bonds
3
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