Molecule

ID:48896

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉ClN₂O
Molecular Mass
302.79856
Exact Mass
302.11859092
Charge
0
InChI
InChI=1S/C17H18N2O.ClH/c18-15(12-13-6-2-1-3-7-13)17(20)19-11-10-14-8-4-5-9-16(14)19;/h1-9,15H,10-12,18H2;1H
InChIKey
MMWSZKFFQMOFQT-UHFFFAOYSA-N
Canonic Smiles
NC(C(=O)N1CCc2c1cccc2)Cc1ccccc1.Cl
Isomeric Smiles
N1(C(=O)C(Cc2ccccc2)N)c2c(CC1)cccc2.Cl
Calculated Properties
JChem
Acid pKa
17.284597
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.032847613
LogD (pH = 7.4)
1.7270855
Log P
2.4158716
Molar Refractivity
79.8191
Polarizability
31.145725
Polar Surface Area
46.33
Rotatable Bonds
3
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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