Molecule

ID:84052

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₁ClO₃
Molecular Mass
286.70974
Exact Mass
286.03967189
Charge
0
InChI
InChI=1S/C16H11ClO3/c17-13-4-2-1-3-12(13)14(18)7-5-11-6-8-15-16(9-11)20-10-19-15/h1-9H,10H2
InChIKey
UHANJWSZRSCGST-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1Cl)/C=C/c1ccc2c(c1)OCO2
Isomeric Smiles
O1c2cc(ccc2OC1)/C=C/C(=O)c1c(cccc1)Cl
Calculated Properties
JChem
Acid pKa
16.39575
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.1176033
LogD (pH = 7.4)
4.1176033
Log P
4.1176033
Molar Refractivity
77.4487
Polarizability
29.67561
Polar Surface Area
35.53
Rotatable Bonds
3
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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