Molecule

ID:46377

General Information
Structure
Molecular Formula
C₁₅H₂₄ClNO
Molecular Mass
269.81016
Exact Mass
269.15464207
Charge
0
InChI
InChI=1S/C15H23NO.ClH/c1-13-6-2-3-7-14(13)12-17-11-9-15-8-4-5-10-16-15;/h2-3,6-7,15-16H,4-5,8-12H2,1H3;1H
InChIKey
VDDITLSFHGYOAW-UHFFFAOYSA-N
Canonic Smiles
Cc1ccccc1COCCC1CCCCN1.Cl
Isomeric Smiles
N1C(CCOCc2c(C)cccc2)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
28.340897
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