Molecule

ID:35745

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₄N₂O
Molecular Mass
200.32106
Exact Mass
200.1888634
Charge
0
InChI
InChI=1S/C11H24N2O/c1-3-14-10-4-7-12-11-5-8-13(2)9-6-11/h11-12H,3-10H2,1-2H3
InChIKey
SAQKCOKECNZJAH-UHFFFAOYSA-N
Canonic Smiles
CCOCCCNC1CCN(CC1)C
Isomeric Smiles
N1(CCC(CC1)NCCCOCC)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.981974
LogD (pH = 7.4)
-3.0589252
Log P
0.20371984
Molar Refractivity
60.802
Polarizability
24.013033
Polar Surface Area
24.5
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