Molecule

ID:84464

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄ClNO
Molecular Mass
281.82086
Exact Mass
281.15464207
Charge
0
InChI
InChI=1S/C16H24ClNO/c1-15(2,3)11-7-12(16(4,5)6)9-13(8-11)18-14(19)10-17/h7-9H,10H2,1-6H3,(H,18,19)
InChIKey
QNZGCCXVITZXHL-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)Nc1cc(cc(c1)C(C)(C)C)C(C)(C)C
Isomeric Smiles
N(c1cc(cc(c1)C(C)(C)C)C(C)(C)C)C(=O)CCl
Calculated Properties
JChem
Acid pKa
13.451144
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.838413
LogD (pH = 7.4)
4.8384123
Log P
4.838413
Molar Refractivity
83.006
Polarizability
31.596804
Polar Surface Area
29.1
Rotatable Bonds
4
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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