Molecule

ID:47194

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄ClNO
Molecular Mass
269.81016
Exact Mass
269.15464207
Charge
0
InChI
InChI=1S/C15H23NO.ClH/c1-12(2)14-5-3-4-6-15(14)17-11-13-7-9-16-10-8-13;/h3-6,12-13,16H,7-11H2,1-2H3;1H
InChIKey
CXOMUSXXMZOZMS-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccccc1OCC1CCNCC1)C.Cl
Isomeric Smiles
c1(c(OCC2CCNCC2)cccc1)C(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.06647824
LogD (pH = 7.4)
0.39429256
Log P
3.1649427
Molar Refractivity
71.6864
Polarizability
28.32908
Polar Surface Area
21.26
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