Molecule

ID:55008

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇ClN₂O
Molecular Mass
240.72918
Exact Mass
240.10294085
Charge
0
InChI
InChI=1S/C12H16N2O.ClH/c13-11-5-3-10(4-6-11)9-12(15)14-7-1-2-8-14;/h3-6H,1-2,7-9,13H2;1H
InChIKey
WSUOOGIGYKKJCE-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCCC1)Cc1ccc(cc1)N.Cl
Isomeric Smiles
C(=O)(N1CCCC1)Cc1ccc(N)cc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.79739386
LogD (pH = 7.4)
0.8278722
Log P
0.82827514
Molar Refractivity
61.2226
Polarizability
22.993868
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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