Molecule

ID:62659

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₄ClIN₄
Molecular Mass
410.72463
Exact Mass
410.07342247
Charge
0
InChI
InChI=1S/C14H23IN4.ClH/c1-10(2)19-8-6-5-7-12(19)13-11(15)9-16-14(17-13)18(3)4;/h9-10,12H,5-8H2,1-4H3;1H
InChIKey
ICCRVUUZNPYXPR-UHFFFAOYSA-N
Canonic Smiles
CC(N1CCCCC1c1nc(ncc1I)N(C)C)C.Cl
Isomeric Smiles
n1c(C2N(C(C)C)CCCC2)c(cnc1N(C)C)I.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.7022192
LogD (pH = 7.4)
3.5855489
Log P
3.6240838
Molar Refractivity
89.5346
Polarizability
33.958866
Polar Surface Area
32.26
Rotatable Bonds
3
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