Molecule

ID:79185

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀ClNO
Molecular Mass
253.7677
Exact Mass
253.12334195
Charge
0
InChI
InChI=1S/C14H20ClNO/c1-10-6-5-7-12(11(10)2)8-16-13(17)14(3,4)9-15/h5-7H,8-9H2,1-4H3,(H,16,17)
InChIKey
UMEIBCOMKYRJTI-UHFFFAOYSA-N
Canonic Smiles
ClCC(C(=O)NCc1cccc(c1C)C)(C)C
Isomeric Smiles
N(C(=O)C(CCl)(C)C)Cc1cccc(c1C)C
Calculated Properties
JChem
Acid pKa
14.413229
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.8180606
LogD (pH = 7.4)
3.8180606
Log P
3.8180609
Molar Refractivity
72.5857
Polarizability
27.924688
Polar Surface Area
29.1
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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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