Molecule

ID:37558

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅ClN₂O₂
Molecular Mass
230.6913
Exact Mass
230.08220541
Charge
0
InChI
InChI=1S/C10H14N2O2.ClH/c1-3-14-10(13)8-5-4-7(2)9(6-8)12-11;/h4-6,12H,3,11H2,1-2H3;1H
InChIKey
BAKCTIHVWUYIQX-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(c(c1)NN)C.Cl
Isomeric Smiles
c1cc(cc(c1C)NN)C(=O)OCC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.090438
LogD (pH = 7.4)
2.236377
Log P
2.2385948
Molar Refractivity
57.5798
Polarizability
20.917711
Polar Surface Area
64.35
Rotatable Bonds
4
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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