Molecule

ID:23934

General Information
Structure
Molecular Formula
C₉H₂₀ClNO₂
Molecular Mass
209.7136
Exact Mass
209.11825657
Charge
0
InChI
InChI=1S/C9H19NO2.ClH/c10-6-8(11)7-12-9-4-2-1-3-5-9;/h8-9,11H,1-7,10H2;1H
InChIKey
UHALNOCUXWHDSP-UHFFFAOYSA-N
Canonic Smiles
NCC(COC1CCCCC1)O.Cl
Isomeric Smiles
C1(OCC(CN)O)CCCCC1.Cl
Calculated Properties
JChem
Acid pKa
14.114454
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.494103
LogD (pH = 7.4)
-1.5771809
Log P
0.4965012
Molar Refractivity
47.939
Polarizability
19.416607
Polar Surface Area
55.48
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