Molecule

ID:44002

General Information
Structure
Molecular Formula
C₉H₁₁ClN₄
Molecular Mass
210.66344
Exact Mass
210.06722405
Charge
0
InChI
InChI=1S/C9H11ClN4/c1-6-4-8(11)13-14(6)9-3-2-7(10)5-12-9/h2-3,5-6H,4H2,1H3,(H2,11,13)
InChIKey
UVBPMYBQHDMKKL-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(nc1)N1N=C(CC1C)N
Isomeric Smiles
N1(N=C(CC1C)N)c1ncc(cc1)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.68322915
LogD (pH = 7.4)
0.73339707
Log P
1.5244056
Molar Refractivity
65.6515
Polarizability
20.966352
Polar Surface Area
54.51
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