Molecule

ID:50577

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁ClN₂O₂
Molecular Mass
214.64884
Exact Mass
214.05090528
Charge
0
InChI
InChI=1S/C9H11ClN2O2/c1-6-4-7(8(10)11-5-6)9(13)12(2)14-3/h4-5H,1-3H3
InChIKey
HYCMGOXJFZMPHD-UHFFFAOYSA-N
Canonic Smiles
CON(C(=O)c1cc(C)cnc1Cl)C
Isomeric Smiles
c1(cnc(c(c1)C(=O)N(C)OC)Cl)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.5423093
LogD (pH = 7.4)
1.5423119
Log P
1.542312
Molar Refractivity
55.0304
Polarizability
20.426174
Polar Surface Area
42.43
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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