Molecule

ID:35402

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₁N₃O₂
Molecular Mass
215.29264
Exact Mass
215.16337693
Charge
0
InChI
InChI=1S/C10H21N3O2/c1-15-8-2-3-12-10(14)9-13-6-4-11-5-7-13/h11H,2-9H2,1H3,(H,12,14)
InChIKey
NYDJHEJJJKWIMQ-UHFFFAOYSA-N
Canonic Smiles
COCCCNC(=O)CN1CCNCC1
Isomeric Smiles
N1(CC(=O)NCCCOC)CCNCC1
Calculated Properties
JChem
Acid pKa
15.853582
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-4.464181
LogD (pH = 7.4)
-2.962334
Log P
-1.4380579
Molar Refractivity
59.4559
Polarizability
23.382973
Polar Surface Area
53.6
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