Molecule

ID:47006

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃Cl₂NO
Molecular Mass
304.25522
Exact Mass
303.11566972
Charge
0
InChI
InChI=1S/C15H22ClNO.ClH/c1-15(2,3)13-9-11(16)6-7-14(13)18-12-5-4-8-17-10-12;/h6-7,9,12,17H,4-5,8,10H2,1-3H3;1H
InChIKey
DPHRAYBWBCPSDG-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)C(C)(C)C)OC1CCCNC1.Cl
Isomeric Smiles
c1(c(OC2CNCCC2)ccc(c1)Cl)C(C)(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.8979598
LogD (pH = 7.4)
2.0187402
Log P
4.0658364
Molar Refractivity
75.9275
Polarizability
30.15314
Polar Surface Area
21.26
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