Molecule
ID:122456
General Information
Molecular Formula
C₁₀H₁₉N₃
Molecular Mass
181.27796
Exact Mass
181.15789762
Charge
0
InChI
InChI=1S/C10H19N3/c1-9-3-12-5-10(2,8(9)11)6-13(4-9)7-12/h8H,3-7,11H2,1-2H3
InChIKey
BUCSFUAMLHKDLP-UHFFFAOYSA-N
Canonic Smiles
NC1C2(C)CN3CC1(C)CN(C2)C3
Isomeric Smiles
C12(C(C3(CN(C2)CN(C1)C3)C)N)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.3928914
LogD (pH = 7.4)
-2.3828435
Log P
-0.050945166
Molar Refractivity
52.7439
Polarizability
21.55002
Polar Surface Area
32.5
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
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
Loading...
Bioactivity
Loading...