Molecule

ID:45302

General Information
Structure
Molecular Formula
C₁₀H₁₅ClN₂O
Molecular Mass
214.6919
Exact Mass
214.08729079
Charge
0
InChI
InChI=1S/C10H14N2O.ClH/c1-12-10(13)6-5-8-3-2-4-9(11)7-8;/h2-4,7H,5-6,11H2,1H3,(H,12,13);1H
InChIKey
NZAKGMITRBAECM-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)CCc1cccc(c1)N.Cl
Isomeric Smiles
C(=O)(NC)CCc1cc(N)ccc1.Cl
Calculated Properties
JChem
Acid pKa
16.32975
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.61266696
LogD (pH = 7.4)
0.6429698
Log P
0.6433703
Molar Refractivity
53.3859
Polarizability
20.040138
Polar Surface Area
55.12
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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