Molecule

ID:102942

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₈ClNO₃
Molecular Mass
329.86212
Exact Mass
329.17577144
Charge
0
InChI
InChI=1S/C17H27NO3.ClH/c1-2-3-12-20-16-5-7-17(8-6-16)21-13-4-9-18-10-14-19-15-11-18;/h5-8H,2-4,9-15H2,1H3;1H
InChIKey
SYCBXBCPLUFJID-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1ccc(cc1)OCCCN1CCOCC1.Cl
Isomeric Smiles
Cl.CCCCOc1ccc(OCCCN2CCOCC2)cc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.2722777
LogD (pH = 7.4)
2.6775775
Log P
2.841906
Molar Refractivity
84.817
Polarizability
33.426414
Polar Surface Area
30.93
Rotatable Bonds
9
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
References
Bioactivity
Navigation