Molecule

ID:48808

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇ClN₂O
Molecular Mass
240.72918
Exact Mass
240.10294085
Charge
0
InChI
InChI=1S/C12H16N2O.ClH/c13-7-5-12(15)14-8-6-10-3-1-2-4-11(10)9-14;/h1-4H,5-9,13H2;1H
InChIKey
TZQXWUDRORLYQG-UHFFFAOYSA-N
Canonic Smiles
NCCC(=O)N1CCc2c(C1)cccc2.Cl
Isomeric Smiles
N1(C(=O)CCN)Cc2c(CC1)cccc2.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.439742
LogD (pH = 7.4)
-1.2170004
Log P
0.49430832
Molar Refractivity
60.2406
Polarizability
23.38033
Polar Surface Area
46.33
Rotatable Bonds
2
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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