Molecule

ID:48325

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇N₃
Molecular Mass
191.27278
Exact Mass
191.14224756
Charge
0
InChI
InChI=1S/C11H17N3/c1-9-4-6-14(7-5-9)11-3-2-10(12)8-13-11/h2-3,8-9H,4-7,12H2,1H3
InChIKey
HEVSOVFIHZLGNO-UHFFFAOYSA-N
Canonic Smiles
CC1CCN(CC1)c1ccc(cn1)N
Isomeric Smiles
N1(c2ncc(N)cc2)CCC(CC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.61634237
LogD (pH = 7.4)
1.6553961
Log P
1.7665341
Molar Refractivity
60.0342
Polarizability
22.030106
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