Molecule

ID:28800

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀ClNO
Molecular Mass
289.7998
Exact Mass
289.12334195
Charge
0
InChI
InChI=1S/C17H20ClNO/c1-12-8-9-16(13(2)10-12)19-11-14(3)20-17-7-5-4-6-15(17)18/h4-10,14,19H,11H2,1-3H3
InChIKey
PQRGEUYNDFGASP-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccccc1Cl)CNc1ccc(cc1C)C
Isomeric Smiles
c1(OC(CNc2c(cc(cc2)C)C)C)c(Cl)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.0913043
LogD (pH = 7.4)
5.1369224
Log P
5.137536
Molar Refractivity
86.11
Polarizability
32.67908
Polar Surface Area
21.26
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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