Molecule

ID:83605

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₁ClO₂
Molecular Mass
306.74244
Exact Mass
306.04475727
Charge
0
InChI
InChI=1S/C19H11ClO2/c20-19(13-8-2-1-3-9-13)17(21)14-10-4-6-12-7-5-11-15(16(12)14)18(19)22/h1-11H
InChIKey
NKMRLBRDWQLSDJ-UHFFFAOYSA-N
Canonic Smiles
O=C1c2cccc3c2c(C(=O)C1(Cl)c1ccccc1)ccc3
Isomeric Smiles
O=C1C(c2ccccc2)(C(=O)c2cccc3cccc1c23)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.633456
LogD (pH = 7.4)
4.633456
Log P
4.633456
Molar Refractivity
85.9807
Polarizability
34.160538
Polar Surface Area
34.14
Rotatable Bonds
1
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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