Molecule

ID:46673

General Information
Structure
Molecular Formula
C₁₅H₂₄ClNO₂
Molecular Mass
285.80956
Exact Mass
285.14955669
Charge
0
InChI
InChI=1S/C15H23NO2.ClH/c1-12-6-7-14(15(11-12)17-2)18-10-8-13-5-3-4-9-16-13;/h6-7,11,13,16H,3-5,8-10H2,1-2H3;1H
InChIKey
WUJRFNXFXMQFKW-UHFFFAOYSA-N
Canonic Smiles
COc1cc(C)ccc1OCCC1CCCCN1.Cl
Isomeric Smiles
c1(c(ccc(c1)C)OCCC1NCCCC1)OC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.4485205
LogD (pH = 7.4)
0.14438254
Log P
2.7770143
Molar Refractivity
73.4276
Polarizability
28.98134
Polar Surface Area
30.49
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