Molecule

ID:48327

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇N₃
Molecular Mass
191.27278
Exact Mass
191.14224756
Charge
0
InChI
InChI=1S/C11H17N3/c12-10-5-6-11(13-9-10)14-7-3-1-2-4-8-14/h5-6,9H,1-4,7-8,12H2
InChIKey
OZECTFWTIKJUJU-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(nc1)N1CCCCCC1
Isomeric Smiles
c1(N2CCCCCC2)ncc(N)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.7737862
LogD (pH = 7.4)
1.8129003
Log P
1.9240836
Molar Refractivity
60.0866
Polarizability
22.030107
Polar Surface Area
42.15
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