Molecule

ID:87756

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₅N₃
Molecular Mass
211.347
Exact Mass
211.20484782
Charge
0
InChI
InChI=1S/C12H25N3/c1-2-8-14(7-1)10-4-11-15-9-3-5-13-6-12-15/h13H,1-12H2
InChIKey
MGOANZSZEXTOLW-UHFFFAOYSA-N
Canonic Smiles
N1CCCN(CC1)CCCN1CCCC1
Isomeric Smiles
N1CCCN(CCCN2CCCC2)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-6.794968
LogD (pH = 7.4)
-4.71341
Log P
0.19860257
Molar Refractivity
66.0344
Polarizability
25.977915
Polar Surface Area
18.51
Rotatable Bonds
4
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