Molecule

ID:75910

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉Cl₂NO
Molecular Mass
264.19136
Exact Mass
263.08436959
Charge
0
InChI
InChI=1S/C12H18ClNO.ClH/c1-14(2)7-4-8-15-12-6-3-5-11(9-12)10-13;/h3,5-6,9H,4,7-8,10H2,1-2H3;1H
InChIKey
MCRYCZSEVCPYAW-UHFFFAOYSA-N
Canonic Smiles
ClCc1cccc(c1)OCCCN(C)C.Cl
Isomeric Smiles
O(c1cc(ccc1)CCl)CCCN(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.82817733
LogD (pH = 7.4)
0.6284483
Log P
2.481421
Molar Refractivity
65.2726
Polarizability
25.390434
Polar Surface Area
12.47
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