Molecule

ID:101798

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆ClIN₄
Molecular Mass
366.62901
Exact Mass
366.01082221
Charge
0
InChI
InChI=1S/C11H15ClN4.HI/c12-9-3-1-2-4-10(9)15-5-7-16(8-6-15)11(13)14;/h1-4H,5-8H2,(H3,13,14);1H
InChIKey
BYKDWRMBBKXNMG-UHFFFAOYSA-N
Canonic Smiles
NC(=N)N1CCN(CC1)c1ccccc1Cl.I
Isomeric Smiles
C(=N)(N1CCN(c2c(Cl)cccc2)CC1)N.I
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.77038753
LogD (pH = 7.4)
-0.76721364
Log P
1.6450309
Molar Refractivity
77.2815
Polarizability
24.824186
Polar Surface Area
56.35
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