Molecule

ID:11257

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄ClN₃
Molecular Mass
247.72336
Exact Mass
247.08762514
Charge
0
InChI
InChI=1S/C13H14ClN3/c14-12-10-6-2-3-7-11(10)13(16-15-12)17-8-4-1-5-9-17/h2-3,6-7H,1,4-5,8-9H2
InChIKey
GZHRIJILPSVIKI-UHFFFAOYSA-N
Canonic Smiles
Clc1nnc(c2c1cccc2)N1CCCCC1
Isomeric Smiles
c1(nnc(c2c1cccc2)Cl)N1CCCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.141593
LogD (pH = 7.4)
3.1423597
Log P
3.1423695
Molar Refractivity
72.9648
Polarizability
27.611431
Polar Surface Area
29.02
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