Molecule

ID:24325

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆ClNO
Molecular Mass
201.69314
Exact Mass
201.09204182
Charge
0
InChI
InChI=1S/C10H15NO.ClH/c1-2-6-12-10-5-3-4-9(7-10)8-11;/h3-5,7H,2,6,8,11H2,1H3;1H
InChIKey
PGWOBIDEBKQWRC-UHFFFAOYSA-N
Canonic Smiles
CCCOc1cccc(c1)CN.Cl
Isomeric Smiles
c1c(OCCC)cccc1CN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.1599288
LogD (pH = 7.4)
-0.16652182
Log P
1.8206733
Molar Refractivity
50.2672
Polarizability
19.91274
Polar Surface Area
35.25
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