Molecule

ID:16509

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁ClN₂O
Molecular Mass
280.79304
Exact Mass
280.13424098
Charge
0
InChI
InChI=1S/C15H21ClN2O/c1-11-7-8-13(9-14(11)16)18-15(19)10-17-12-5-3-2-4-6-12/h7-9,12,17H,2-6,10H2,1H3,(H,18,19)
InChIKey
GBWTYBWEKQQWOB-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccc(c(c1)Cl)C)CNC1CCCCC1
Isomeric Smiles
c1(cc(c(cc1)C)Cl)NC(=O)CNC1CCCCC1
Calculated Properties
JChem
Acid pKa
13.538147
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.617842
LogD (pH = 7.4)
2.1180031
Log P
3.6361434
Molar Refractivity
79.9155
Polarizability
30.681093
Polar Surface Area
41.13
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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