Molecule

ID:80101

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₂ClNO₂
Molecular Mass
285.72498
Exact Mass
285.05565631
Charge
0
InChI
InChI=1S/C16H12ClNO2/c1-18-13-10-6-5-9-12(13)14(19)16(17,15(18)20)11-7-3-2-4-8-11/h2-10H,1H3
InChIKey
YSJFCVWHCURVJB-UHFFFAOYSA-N
Canonic Smiles
CN1c2ccccc2C(=O)C(C1=O)(Cl)c1ccccc1
Isomeric Smiles
N1(C(=O)C(c2ccccc2)(C(=O)c2ccccc12)Cl)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1881084
LogD (pH = 7.4)
3.1881084
Log P
3.1881084
Molar Refractivity
77.1066
Polarizability
29.629593
Polar Surface Area
37.38
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
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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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