Molecule

ID:29461

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀ClNO₂
Molecular Mass
305.7992
Exact Mass
305.11825657
Charge
0
InChI
InChI=1S/C17H20ClNO2/c1-2-11-20-15-7-5-6-14(13-15)19-10-12-21-17-9-4-3-8-16(17)18/h3-9,13,19H,2,10-12H2,1H3
InChIKey
HIXFOYVKNQYONE-UHFFFAOYSA-N
Canonic Smiles
CCCOc1cccc(c1)NCCOc1ccccc1Cl
Isomeric Smiles
c1c(NCCOc2c(Cl)cccc2)cccc1OCCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.408825
LogD (pH = 7.4)
4.415689
Log P
4.415777
Molar Refractivity
87.3446
Polarizability
33.50459
Polar Surface Area
30.49
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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