Molecule

ID:50033

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅ClN₂O₂
Molecular Mass
230.6913
Exact Mass
230.08220541
Charge
0
InChI
InChI=1S/C10H14N2O2.ClH/c1-7(11)10(13)12-8-3-5-9(14-2)6-4-8;/h3-7H,11H2,1-2H3,(H,12,13);1H
InChIKey
DMVRKDGGQULUAX-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)NC(=O)C(N)C.Cl
Isomeric Smiles
C(=O)(Nc1ccc(cc1)OC)C(N)C.Cl
Calculated Properties
JChem
Acid pKa
13.861686
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.8558342
LogD (pH = 7.4)
-0.1871317
Log P
0.6979193
Molar Refractivity
55.2378
Polarizability
21.092043
Polar Surface Area
64.35
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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