Molecule

ID:48982

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁ClN₂O
Molecular Mass
280.79304
Exact Mass
280.13424098
Charge
0
InChI
InChI=1S/C15H20N2O.ClH/c18-15(13-6-3-8-16-10-13)17-9-7-12-4-1-2-5-14(12)11-17;/h1-2,4-5,13,16H,3,6-11H2;1H
InChIKey
YVRNHCQAOUQZEI-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCc2c(C1)cccc2)C1CCCNC1.Cl
Isomeric Smiles
N1(C(=O)C2CNCCC2)Cc2c(CC1)cccc2.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.7450843
LogD (pH = 7.4)
-0.72664607
Log P
1.4409108
Molar Refractivity
72.4591
Polarizability
28.179482
Polar Surface Area
32.34
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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