Molecule
ID:12971
General Information
Molecular Formula
C₁₅H₂₀ClNO₂
Molecular Mass
281.7778
Exact Mass
281.11825657
Charge
0
InChI
InChI=1S/C15H20ClNO2/c1-10-8-15(2,3)17(14(18)9-16)13-6-5-11(19-4)7-12(10)13/h5-7,10H,8-9H2,1-4H3
InChIKey
URNUWVIPNDXJGL-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)N1c2ccc(cc2C(CC1(C)C)C)OC
Isomeric Smiles
c12c(N(C(CC1C)(C)C)C(=O)CCl)ccc(c2)OC
Calculated Properties
JChem
Acid pKa
16.746508
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9233227
LogD (pH = 7.4)
2.9233227
Log P
2.9233227
Molar Refractivity
76.7695
Polarizability
29.867037
Polar Surface Area
29.54
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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