Molecule

ID:46389

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄ClNO
Molecular Mass
269.81016
Exact Mass
269.15464207
Charge
0
InChI
InChI=1S/C15H23NO.ClH/c1-13-5-4-6-14(11-13)12-17-10-8-15-7-2-3-9-16-15;/h4-6,11,15-16H,2-3,7-10,12H2,1H3;1H
InChIKey
FDYPKGRAXKOOHF-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)COCCC1CCCCN1.Cl
Isomeric Smiles
N1C(CCOCc2cc(ccc2)C)CCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.2634313
LogD (pH = 7.4)
0.19351844
Log P
2.9681334
Molar Refractivity
72.0683
Polarizability
28.340586
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