Molecule

ID:87699

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁ClN₂O
Molecular Mass
174.62804
Exact Mass
174.05599066
Charge
0
InChI
InChI=1S/C7H10N2O.ClH/c8-9-7-3-1-6(5-10)2-4-7;/h1-4,9-10H,5,8H2;1H
InChIKey
JOFCJVZJNAHWAF-UHFFFAOYSA-N
Canonic Smiles
OCc1ccc(cc1)NN.Cl
Isomeric Smiles
N(c1ccc(cc1)CO)N.Cl
Calculated Properties
JChem
Acid pKa
15.127963
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
0.37624723
LogD (pH = 7.4)
0.5939188
Log P
0.59753865
Molar Refractivity
42.5806
Polarizability
15.343775
Polar Surface Area
58.28
Rotatable Bonds
2
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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