Molecule

ID:55276

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉ClN₂O
Molecular Mass
254.75576
Exact Mass
254.11859092
Charge
0
InChI
InChI=1S/C13H18N2O.ClH/c14-12-6-8-15(9-7-12)13(16)10-11-4-2-1-3-5-11;/h1-5,12H,6-10,14H2;1H
InChIKey
HUHXPFAQMQXAKI-UHFFFAOYSA-N
Canonic Smiles
NC1CCN(CC1)C(=O)Cc1ccccc1.Cl
Isomeric Smiles
N1(C(=O)Cc2ccccc2)CCC(CC1)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.5552454
LogD (pH = 7.4)
-1.9863117
Log P
0.46258143
Molar Refractivity
64.363
Polarizability
25.228521
Polar Surface Area
46.33
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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