Molecule

ID:33933

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆Cl₂N₄
Molecular Mass
275.17754
Exact Mass
274.07520189
Charge
0
InChI
InChI=1S/C11H14N4.2ClH/c12-8-9-2-1-5-14-11(9)15-6-3-10(13)4-7-15;;/h1-2,5,10H,3-4,6-7,13H2;2*1H
InChIKey
RCLXJRPPISPFAA-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cccnc1N1CCC(CC1)N.Cl.Cl
Isomeric Smiles
c1(N2CCC(CC2)N)c(C#N)cccn1.Cl.Cl
Calculated Properties
JChem
Molar Refractivity
59.7466
Polarizability
22.406122
Polar Surface Area
65.94
Rotatable Bonds
1
Lipinski's Rule of Five
true
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.495044
LogD (pH = 7.4)
-1.9599104
Log P
0.5253488
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