Molecule

ID:65373

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁ClO
Molecular Mass
242.70024
Exact Mass
242.04984265
Charge
0
InChI
InChI=1S/C15H11ClO/c1-15(14(16)17)12-8-4-2-6-10(12)11-7-3-5-9-13(11)15/h2-9H,1H3
InChIKey
ZQYOOHGEBHBNTP-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)C1(C)c2ccccc2c2c1cccc2
Isomeric Smiles
c12c(C(c3c1cccc3)(C)C(=O)Cl)cccc2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.051108
LogD (pH = 7.4)
4.051108
Log P
4.051108
Molar Refractivity
69.3523
Polarizability
28.018496
Polar Surface Area
17.07
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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