Molecule

ID:60313

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄ClN₃
Molecular Mass
187.66986
Exact Mass
187.08762514
Charge
0
InChI
InChI=1S/C8H14ClN3/c1-6-8(9)7(2)12(11-6)5-3-4-10/h3-5,10H2,1-2H3
InChIKey
XPZXAEULIHCKCX-UHFFFAOYSA-N
Canonic Smiles
NCCCn1nc(c(c1C)Cl)C
Isomeric Smiles
n1(c(c(c(n1)C)Cl)C)CCCN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.4273562
LogD (pH = 7.4)
-2.0658398
Log P
0.599058
Molar Refractivity
62.3226
Polarizability
19.539343
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