Molecule

ID:55030

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁ClN₂O₂
Molecular Mass
190.62744
Exact Mass
190.05090528
Charge
0
InChI
InChI=1S/C7H10N2O2.ClH/c1-4-3-6(5(2)11-4)7(10)9-8;/h3H,8H2,1-2H3,(H,9,10);1H
InChIKey
JXEWHLNCFZOTJC-UHFFFAOYSA-N
Canonic Smiles
Cc1oc(cc1C(=O)NN)C.Cl
Isomeric Smiles
c1(c(oc(c1)C)C)C(=O)NN.Cl
Calculated Properties
JChem
Acid pKa
14.042345
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.06606067
LogD (pH = 7.4)
0.06676945
Log P
0.066778585
Molar Refractivity
42.4333
Polarizability
15.039428
Polar Surface Area
68.26
Rotatable Bonds
1
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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