Molecule

ID:46225

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃Cl₂NO
Molecular Mass
304.25522
Exact Mass
303.11566972
Charge
0
InChI
InChI=1S/C15H22ClNO.ClH/c1-2-12-11-13(16)6-7-15(12)18-10-8-14-5-3-4-9-17-14;/h6-7,11,14,17H,2-5,8-10H2,1H3;1H
InChIKey
DDPRLJFRJXFRPN-UHFFFAOYSA-N
Canonic Smiles
CCc1cc(Cl)ccc1OCCC1CCCCN1.Cl
Isomeric Smiles
c1(c(ccc(c1)Cl)OCCC1NCCCC1)CC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.7577641
LogD (pH = 7.4)
1.3506666
Log P
3.9832988
Molar Refractivity
76.3702
Polarizability
30.154724
Polar Surface Area
21.26
Rotatable Bonds
5
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