Molecule

ID:12973

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀ClNO
Molecular Mass
265.7784
Exact Mass
265.12334195
Charge
0
InChI
InChI=1S/C15H20ClNO/c1-10-5-6-13-12(7-10)11(2)8-15(3,4)17(13)14(18)9-16/h5-7,11H,8-9H2,1-4H3
InChIKey
GIEOIPYAFRVDON-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)N1c2ccc(cc2C(CC1(C)C)C)C
Isomeric Smiles
c12c(N(C(CC1C)(C)C)C(=O)CCl)ccc(c2)C
Calculated Properties
JChem
Acid pKa
16.744078
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.5944154
LogD (pH = 7.4)
3.5944154
Log P
3.5944154
Molar Refractivity
75.3475
Polarizability
29.104322
Polar Surface Area
20.31
Rotatable Bonds
1
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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