Molecule

ID:28480

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₃N₃O
Molecular Mass
225.33052
Exact Mass
225.18411237
Charge
0
InChI
InChI=1S/C12H23N3O/c16-12(10-15-8-6-13-7-9-15)14-11-4-2-1-3-5-11/h11,13H,1-10H2,(H,14,16)
InChIKey
RTFADALJKSFJDZ-UHFFFAOYSA-N
Canonic Smiles
O=C(NC1CCCCC1)CN1CCNCC1
Isomeric Smiles
C(=O)(NC1CCCCC1)CN1CCNCC1
Calculated Properties
JChem
Acid pKa
15.868684
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.6757045
LogD (pH = 7.4)
-1.1741978
Log P
0.3482284
Molar Refractivity
64.5612
Polarizability
25.634712
Polar Surface Area
44.37
Rotatable Bonds
3
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