Molecule

ID:78732

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₂ClN₅
Molecular Mass
343.85378
Exact Mass
343.15637341
Charge
0
InChI
InChI=1S/C18H22ClN5/c1-13-8-11-23(12-9-13)17-20-16(19)21-18(22-17)24-10-4-6-14-5-2-3-7-15(14)24/h2-3,5,7,13H,4,6,8-12H2,1H3
InChIKey
SRQDBMMMRAGPEV-UHFFFAOYSA-N
Canonic Smiles
CC1CCN(CC1)c1nc(Cl)nc(n1)N1CCCc2c1cccc2
Isomeric Smiles
n1c(nc(nc1N1CCC(CC1)C)Cl)N1c2c(cccc2)CCC1
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
5.515322
LogD (pH = 7.4)
5.515342
Log P
5.5153427
Molar Refractivity
100.3249
Polarizability
36.56219
Polar Surface Area
45.15
Rotatable Bonds
2
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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