Molecule

ID:56754

General Information
Structure
Molecular Formula
C₁₄H₁₉ClO₂
Molecular Mass
254.75246
Exact Mass
254.10735753
Charge
0
InChI
InChI=1S/C14H19ClO2/c1-13(2,3)10-6-8-11(9-7-10)17-14(4,5)12(15)16/h6-9H,1-5H3
InChIKey
NAABUGJBFBVHMI-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)C(Oc1ccc(cc1)C(C)(C)C)(C)C
Isomeric Smiles
C(C(=O)Cl)(Oc1ccc(C(C)(C)C)cc1)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.373474
LogD (pH = 7.4)
4.373474
Log P
4.373474
Molar Refractivity
70.3374
Polarizability
27.586107
Polar Surface Area
26.3
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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