Molecule

ID:84941

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₇ClO₂
Molecular Mass
300.77938
Exact Mass
300.09170746
Charge
0
InChI
InChI=1S/C18H17ClO2/c19-13-4-14-21-17-10-8-16(9-11-17)18(20)12-7-15-5-2-1-3-6-15/h1-3,5-12H,4,13-14H2
InChIKey
UYRYKNAEPZCVNX-UHFFFAOYSA-N
Canonic Smiles
ClCCCOc1ccc(cc1)C(=O)/C=C/c1ccccc1
Isomeric Smiles
O=C(c1ccc(cc1)OCCCCl)/C=C/c1ccccc1
Calculated Properties
JChem
Acid pKa
17.085587
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.4571037
LogD (pH = 7.4)
4.4571037
Log P
4.4571037
Molar Refractivity
87.5489
Polarizability
33.34643
Polar Surface Area
26.3
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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