Molecule

ID:45562

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈ClNO₂
Molecular Mass
207.69772
Exact Mass
207.1026065
Charge
0
InChI
InChI=1S/C9H17NO2.ClH/c1-8(11)12-6-4-9-3-2-5-10-7-9;/h9-10H,2-7H2,1H3;1H
InChIKey
NNINOMMDQNDFQI-UHFFFAOYSA-N
Canonic Smiles
CC(=O)OCCC1CCCNC1.Cl
Isomeric Smiles
C(=O)(OCCC1CNCCC1)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.7628462
LogD (pH = 7.4)
-2.3867958
Log P
0.47147596
Molar Refractivity
46.9882
Polarizability
18.871552
Polar Surface Area
38.33
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