Molecule

ID:64110

General Information
Structure
Molecular Formula
C₇H₁₁ClN₂O₂
Molecular Mass
190.62744
Exact Mass
190.05090528
Charge
0
InChI
InChI=1S/C7H10N2O2.ClH/c1-2-11-7(10)6-5(8)3-4-9-6;/h3-4,9H,2,8H2,1H3;1H
InChIKey
MWWQOUGXCWIOSR-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1[nH]ccc1N.Cl
Isomeric Smiles
c1(c(cc[nH]1)N)C(=O)OCC.Cl
Calculated Properties
JChem
Acid pKa
15.430999
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.15449
LogD (pH = 7.4)
1.15449
Log P
1.15449
Molar Refractivity
42.1686
Polarizability
15.471558
Polar Surface Area
68.11
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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