Molecule

ID:37837

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉Cl₂NO₂
Molecular Mass
340.24426
Exact Mass
339.07928421
Charge
0
InChI
InChI=1S/C17H18ClNO2.ClH/c18-16-4-1-13(2-5-16)11-20-12-14-3-6-17-15(9-14)10-19-7-8-21-17;/h1-6,9,19H,7-8,10-12H2;1H
InChIKey
LTFHVIHSMDSQEP-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)COCc1ccc2c(c1)CNCCO2.Cl
Isomeric Smiles
c1(ccc2c(c1)CNCCO2)COCc1ccc(cc1)Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.46049976
LogD (pH = 7.4)
2.0413623
Log P
3.406693
Molar Refractivity
84.7847
Polarizability
33.14062
Polar Surface Area
30.49
Rotatable Bonds
4
Lipinski's Rule of Five
true
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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