Molecule

ID:55168

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅ClN₂O
Molecular Mass
214.6919
Exact Mass
214.08729079
Charge
0
InChI
InChI=1S/C10H14N2O.ClH/c1-12(2)10(13)9-5-3-4-8(6-9)7-11;/h3-6H,7,11H2,1-2H3;1H
InChIKey
XYUMASYTGWJABX-UHFFFAOYSA-N
Canonic Smiles
NCc1cccc(c1)C(=O)N(C)C.Cl
Isomeric Smiles
c1cc(cc(c1)C(=O)N(C)C)CN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.5108924
LogD (pH = 7.4)
-1.2061026
Log P
0.3970067
Molar Refractivity
53.4032
Polarizability
20.205133
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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