Molecule

ID:55394

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃ClN₂O
Molecular Mass
282.80892
Exact Mass
282.14989105
Charge
0
InChI
InChI=1S/C15H22N2O.ClH/c1-12-3-2-4-14(9-12)11-17-15(18)10-13-5-7-16-8-6-13;/h2-4,9,13,16H,5-8,10-11H2,1H3,(H,17,18);1H
InChIKey
BRKTXQGNLREWOT-UHFFFAOYSA-N
Canonic Smiles
O=C(CC1CCNCC1)NCc1cccc(c1)C.Cl
Isomeric Smiles
C1CNCCC1CC(=O)NCc1cccc(c1)C.Cl
Calculated Properties
JChem
Acid pKa
16.037651
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.4979346
LogD (pH = 7.4)
-0.83235234
Log P
1.7234616
Molar Refractivity
74.0231
Polarizability
28.837992
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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