Molecule

ID:59622

General Information
Structure
Molecular Formula
C₁₁H₁₈N₄
Molecular Mass
206.28742
Exact Mass
206.1531466
Charge
0
InChI
InChI=1S/C11H18N4/c1-15-6-3-11(4-7-15)10-9(2-5-14-11)12-8-13-10/h8,14H,2-7H2,1H3,(H,12,13)
InChIKey
WOIWXSLYRYEWMI-UHFFFAOYSA-N
Canonic Smiles
CN1CCC2(CC1)NCCc1c2[nH]cn1
Isomeric Smiles
c12C3(NCCc1nc[nH]2)CCN(CC3)C
Calculated Properties
JChem
Acid pKa
13.588133
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.844349
LogD (pH = 7.4)
-2.3235083
Log P
-0.6465875
Molar Refractivity
60.2108
Polarizability
23.388693
Polar Surface Area
43.95
Rotatable Bonds
0
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