Molecule

ID:81853

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₇ClO₃
Molecular Mass
328.78948
Exact Mass
328.08662208
Charge
0
InChI
InChI=1S/C19H17ClO3/c20-10-4-5-11-22-15-8-9-16-18(12-15)23-13-17(19(16)21)14-6-2-1-3-7-14/h1-3,6-9,12-13H,4-5,10-11H2
InChIKey
OMTLLCJOZPCRMP-UHFFFAOYSA-N
Canonic Smiles
ClCCCCOc1ccc2c(c1)occ(c2=O)c1ccccc1
Isomeric Smiles
o1c2cc(ccc2c(=O)c(c1)c1ccccc1)OCCCCCl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.4217095
LogD (pH = 7.4)
4.4217095
Log P
4.4217095
Molar Refractivity
91.0567
Polarizability
35.123425
Polar Surface Area
35.53
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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