Molecule

ID:90668

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀ClNO₂
Molecular Mass
281.7778
Exact Mass
281.11825657
Charge
0
InChI
InChI=1S/C15H20ClNO2/c1-14(2,3)19-13(18)17-15(9-6-10-15)11-7-4-5-8-12(11)16/h4-5,7-8H,6,9-10H2,1-3H3,(H,17,18)
InChIKey
FEWYSZCIMTVVFB-UHFFFAOYSA-N
Canonic Smiles
O=C(NC1(CCC1)c1ccccc1Cl)OC(C)(C)C
Isomeric Smiles
Clc1c(cccc1)C1(CCC1)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
13.316258
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.0290585
LogD (pH = 7.4)
4.029058
Log P
4.0290585
Molar Refractivity
75.911
Polarizability
29.943256
Polar Surface Area
38.33
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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