Molecule

ID:24580

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀N₂O
Molecular Mass
172.2679
Exact Mass
172.15756327
Charge
0
InChI
InChI=1S/C9H20N2O/c1-9(2,7-10)8-11-3-5-12-6-4-11/h3-8,10H2,1-2H3
InChIKey
CQMVORYYVMMMSP-UHFFFAOYSA-N
Canonic Smiles
NCC(CN1CCOCC1)(C)C
Isomeric Smiles
N1(CC(CN)(C)C)CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.2003684
LogD (pH = 7.4)
-2.2889073
Log P
0.20632009
Molar Refractivity
50.6371
Polarizability
20.324642
Polar Surface Area
38.49
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