Molecule

ID:72425

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆ClNO
Molecular Mass
273.75734
Exact Mass
273.09204182
Charge
0
InChI
InChI=1S/C16H16ClNO/c1-11-8-9-12(2)14(10-11)18-16(19)15(17)13-6-4-3-5-7-13/h3-10,15H,1-2H3,(H,18,19)
InChIKey
UUODHHRXDZDTHO-UHFFFAOYSA-N
Canonic Smiles
O=C(C(c1ccccc1)Cl)Nc1cc(C)ccc1C
Isomeric Smiles
C(=O)(Nc1c(ccc(c1)C)C)C(c1ccccc1)Cl
Calculated Properties
JChem
Acid pKa
13.281678
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.711572
LogD (pH = 7.4)
4.7115717
Log P
4.711572
Molar Refractivity
80.1145
Polarizability
30.146114
Polar Surface Area
29.1
Rotatable Bonds
3
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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