Molecule
ID:80872
General Information
Molecular Formula
C₁₉H₁₉ClO₂
Molecular Mass
314.80596
Exact Mass
314.10735753
Charge
0
InChI
InChI=1S/C19H19ClO2/c1-10-11(2)13(4)17(14(5)12(10)3)18(21)15-8-6-7-9-16(15)19(20)22/h6-9H,1-5H3
InChIKey
USBANWCHROMYSI-UHFFFAOYSA-N
Canonic Smiles
O=C(c1c(C)c(C)c(c(c1C)C)C)c1ccccc1C(=O)Cl
Isomeric Smiles
O=C(c1c(c(c(c(c1C)C)C)C)C)c1ccccc1C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.1906185
LogD (pH = 7.4)
6.1906185
Log P
6.1906185
Molar Refractivity
92.9542
Polarizability
34.539818
Polar Surface Area
34.14
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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