Molecule

ID:89356

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉ClN₄
Molecular Mass
242.74836
Exact Mass
242.12982431
Charge
0
InChI
InChI=1S/C11H19ClN4/c12-9-5-4-8-11-13-14-15-16(11)10-6-2-1-3-7-10/h10H,1-9H2
InChIKey
INTQSGGUSUSCTJ-UHFFFAOYSA-N
Canonic Smiles
ClCCCCc1nnnn1C1CCCCC1
Isomeric Smiles
n1c(n(C2CCCCC2)nn1)CCCCCl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.782633
LogD (pH = 7.4)
2.7826333
Log P
2.7826333
Molar Refractivity
77.7981
Polarizability
24.773348
Polar Surface Area
43.6
Rotatable Bonds
5
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