Molecule

ID:55796

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₇ClN₂O₂
Molecular Mass
338.87218
Exact Mass
338.17610579
Charge
0
InChI
InChI=1S/C18H26N2O2.ClH/c21-18(20-12-2-1-3-13-20)16-4-6-17(7-5-16)22-14-15-8-10-19-11-9-15;/h4-7,15,19H,1-3,8-14H2;1H
InChIKey
XSKPYVXKTVIWBK-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)OCC1CCNCC1)N1CCCCC1.Cl
Isomeric Smiles
C1NCCC(C1)COc1ccc(cc1)C(=O)N1CCCCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.1631303
LogD (pH = 7.4)
-0.70235807
Log P
2.0682921
Molar Refractivity
88.5094
Polarizability
34.15998
Polar Surface Area
41.57
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