Molecule

ID:30880

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇ClN₂O
Molecular Mass
240.72918
Exact Mass
240.10294085
Charge
0
InChI
InChI=1S/C12H16N2O.ClH/c13-11-8-12(15)14(9-11)7-6-10-4-2-1-3-5-10;/h1-5,11H,6-9,13H2;1H
InChIKey
DEWGYXMYYGDGCG-UHFFFAOYSA-N
Canonic Smiles
NC1CC(=O)N(C1)CCc1ccccc1.Cl
Isomeric Smiles
N1(C(=O)CC(C1)N)CCc1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.2544172
LogD (pH = 7.4)
-0.8942477
Log P
0.63132316
Molar Refractivity
59.3872
Polarizability
23.385403
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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