Molecule

ID:81902

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁Cl
Molecular Mass
226.70084
Exact Mass
226.05492803
Charge
0
InChI
InChI=1S/C15H11Cl/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9H,10H2
InChIKey
PCVRSXXPGXRVEZ-UHFFFAOYSA-N
Canonic Smiles
ClCc1c2ccccc2cc2c1cccc2
Isomeric Smiles
ClCc1c2c(cc3ccccc13)cccc2
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.5394416
LogD (pH = 7.4)
4.5394416
Log P
4.5394416
Molar Refractivity
68.8253
Polarizability
29.196615
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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