Molecule

ID:55831

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄ClN₃O
Molecular Mass
203.66926
Exact Mass
203.08253976
Charge
0
InChI
InChI=1S/C8H13N3O.ClH/c9-5-4-7-10-8(12-11-7)6-2-1-3-6;/h6H,1-5,9H2;1H
InChIKey
XPIKVCVBJAUKEH-UHFFFAOYSA-N
Canonic Smiles
NCCc1noc(n1)C1CCC1.Cl
Isomeric Smiles
NCCc1nc(on1)C1CCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.1726217
LogD (pH = 7.4)
-0.9106568
Log P
0.9303632
Molar Refractivity
45.7985
Polarizability
17.1507
Polar Surface Area
64.94
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