Molecule

ID:48575

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₁N₃
Molecular Mass
207.31524
Exact Mass
207.17354769
Charge
0
InChI
InChI=1S/C12H21N3/c1-3-7-15(8-4-2)12-6-5-11(9-13)10-14-12/h5-6,10H,3-4,7-9,13H2,1-2H3
InChIKey
XVBDIIWGVPYLSB-UHFFFAOYSA-N
Canonic Smiles
CCCN(c1ccc(cn1)CN)CCC
Isomeric Smiles
n1c(N(CCC)CCC)ccc(c1)CN
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.6570782
LogD (pH = 7.4)
0.47820696
Log P
2.342504
Molar Refractivity
65.6618
Polarizability
25.001291
Polar Surface Area
42.15
Rotatable Bonds
6
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