Molecule

ID:28744

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₄ClNO₂
Molecular Mass
333.85236
Exact Mass
333.14955669
Charge
0
InChI
InChI=1S/C19H24ClNO2/c1-4-14(2)22-17-9-7-8-16(12-17)21-13-15(3)23-19-11-6-5-10-18(19)20/h5-12,14-15,21H,4,13H2,1-3H3
InChIKey
XMRCLSBCRDCUIQ-UHFFFAOYSA-N
Canonic Smiles
CCC(Oc1cccc(c1)NCC(Oc1ccccc1Cl)C)C
Isomeric Smiles
c1(OC(CNc2cc(OC(CC)C)ccc2)C)c(Cl)cccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.2417264
LogD (pH = 7.4)
5.248836
Log P
5.2489276
Molar Refractivity
96.1822
Polarizability
37.188805
Polar Surface Area
30.49
Rotatable Bonds
8
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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