Molecule

ID:78509

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀ClNO
Molecular Mass
255.699
Exact Mass
255.04509163
Charge
0
InChI
InChI=1S/C15H10ClNO/c16-12-6-4-11(5-7-12)14-9-13-3-1-2-8-17(13)15(14)10-18/h1-10H
InChIKey
BHZHIJDNUJCYFI-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(cc2n1cccc2)c1ccc(cc1)Cl
Isomeric Smiles
n12ccccc1cc(c2C=O)c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.4935334
LogD (pH = 7.4)
3.4935334
Log P
3.4935334
Molar Refractivity
74.5432
Polarizability
29.603529
Polar Surface Area
21.48
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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