Molecule

ID:30262

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉ClN₂O
Molecular Mass
242.74506
Exact Mass
242.11859092
Charge
0
InChI
InChI=1S/C12H18N2O.ClH/c1-15-12-4-2-3-11(9-12)10-14-7-5-13-6-8-14;/h2-4,9,13H,5-8,10H2,1H3;1H
InChIKey
RJBBLLPOVJBNMC-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)CN1CCNCC1.Cl
Isomeric Smiles
N1(Cc2cc(OC)ccc2)CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.9469298
LogD (pH = 7.4)
-0.61699885
Log P
1.221043
Molar Refractivity
61.8193
Polarizability
24.388504
Polar Surface Area
24.5
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