Molecule

ID:46696

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₁ClN₂O
Molecular Mass
292.80374
Exact Mass
292.13424098
Charge
0
InChI
InChI=1S/C16H20N2O.ClH/c1-5-14-6-3-10-18-16(14)15(7-1)19-11-8-13-4-2-9-17-12-13;/h1,3,5-7,10,13,17H,2,4,8-9,11-12H2;1H
InChIKey
BGCJZUWWEGTMNE-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CN1)CCOc1cccc2c1nccc2.Cl
Isomeric Smiles
c12ncccc2cccc1OCCC1CNCCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.7131323
LogD (pH = 7.4)
-0.33612746
Log P
2.5221567
Molar Refractivity
76.0179
Polarizability
31.376255
Polar Surface Area
34.15
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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