Molecule

ID:80311

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂Cl₃NO
Molecular Mass
328.62088
Exact Mass
326.99844705
Charge
0
InChI
InChI=1S/C15H12Cl3NO/c16-15(17,18)13(11-7-3-1-4-8-11)19-14(20)12-9-5-2-6-10-12/h1-10,13H,(H,19,20)
InChIKey
HLHWLASXUWHLRM-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)NC(C(Cl)(Cl)Cl)c1ccccc1
Isomeric Smiles
N(C(=O)c1ccccc1)C(c1ccccc1)C(Cl)(Cl)Cl
Calculated Properties
JChem
Acid pKa
15.008971
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.406958
LogD (pH = 7.4)
4.4069586
Log P
4.4069586
Molar Refractivity
84.2704
Polarizability
31.971474
Polar Surface Area
29.1
Rotatable Bonds
4
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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