Molecule

ID:27165

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁ClN₂O₂
Molecular Mass
214.64884
Exact Mass
214.05090528
Charge
0
InChI
InChI=1S/C9H11ClN2O2/c1-6-2-3-7(10)8(4-6)14-5-9(13)12-11/h2-4H,5,11H2,1H3,(H,12,13)
InChIKey
UURYIYZPXLOZGJ-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(OCC(=O)NN)c(cc1)Cl
Isomeric Smiles
C(=O)(NN)COc1c(ccc(c1)C)Cl
Calculated Properties
JChem
Acid pKa
11.415161
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.3061863
LogD (pH = 7.4)
1.3075496
Log P
1.3076056
Molar Refractivity
54.7581
Polarizability
21.015675
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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