Molecule

ID:27219

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃ClN₂O₂
Molecular Mass
228.67542
Exact Mass
228.06655535
Charge
0
InChI
InChI=1S/C10H13ClN2O2/c1-6-5-8(3-4-9(6)11)15-7(2)10(14)13-12/h3-5,7H,12H2,1-2H3,(H,13,14)
InChIKey
IGKBZGMXZGEDDJ-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)C(Oc1ccc(c(c1)C)Cl)C
Isomeric Smiles
C(=O)(C(Oc1cc(c(cc1)Cl)C)C)NN
Calculated Properties
JChem
Acid pKa
11.506683
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.8749708
LogD (pH = 7.4)
1.876307
Log P
1.8763698
Molar Refractivity
59.252
Polarizability
22.822922
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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