Molecule

ID:28785

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀ClNO₂
Molecular Mass
305.7992
Exact Mass
305.11825657
Charge
0
InChI
InChI=1S/C17H20ClNO2/c1-20-10-11-21-17-9-5-3-7-15(17)13-19-12-14-6-2-4-8-16(14)18/h2-9,19H,10-13H2,1H3
InChIKey
HIOIAIPYYIWXNV-UHFFFAOYSA-N
Canonic Smiles
COCCOc1ccccc1CNCc1ccccc1Cl
Isomeric Smiles
c1(c(Cl)cccc1)CNCc1c(OCCOC)cccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.3545114
LogD (pH = 7.4)
3.0731041
Log P
3.6554656
Molar Refractivity
86.2301
Polarizability
33.883427
Polar Surface Area
30.49
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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