Molecule

ID:48406

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂ClN₃
Molecular Mass
209.67538
Exact Mass
209.07197508
Charge
0
InChI
InChI=1S/C10H12ClN3/c1-3-5-14(6-4-2)10-8-12-7-9(11)13-10/h3-4,7-8H,1-2,5-6H2
InChIKey
UNXOHGNCHRCUMS-UHFFFAOYSA-N
Canonic Smiles
C=CCN(c1cncc(n1)Cl)CC=C
Isomeric Smiles
n1c(N(CC=C)CC=C)cncc1Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.5271218
LogD (pH = 7.4)
2.527124
Log P
2.527124
Molar Refractivity
60.6778
Polarizability
22.187922
Polar Surface Area
29.02
Rotatable Bonds
5
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