Molecule

ID:80440

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₃ClO
Molecular Mass
292.75892
Exact Mass
292.06549272
Charge
0
InChI
InChI=1S/C19H13ClO/c20-18-8-4-3-6-15(18)11-12-19(21)17-10-9-14-5-1-2-7-16(14)13-17/h1-13H
InChIKey
ZXDUIUQFWPZFRC-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc2c(c1)cccc2)/C=C/c1ccccc1Cl
Isomeric Smiles
O=C(c1ccc2ccccc2c1)/C=C/c1c(cccc1)Cl
Calculated Properties
JChem
Acid pKa
16.278442
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.4838467
LogD (pH = 7.4)
5.4838467
Log P
5.4838467
Molar Refractivity
88.132
Polarizability
34.78237
Polar Surface Area
17.07
Rotatable Bonds
3
Lipinski's Rule of Five
false
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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