Molecule

ID:13327

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃ClN₂O
Molecular Mass
212.67602
Exact Mass
212.07164073
Charge
0
InChI
InChI=1S/C10H13ClN2O/c11-8-2-1-3-9(12)10(8)13-4-6-14-7-5-13/h1-3H,4-7,12H2
InChIKey
LEQGHOHIHNAMCC-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1N1CCOCC1)Cl
Isomeric Smiles
c1cc(c(c(c1)N)N1CCOCC1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.6352645
LogD (pH = 7.4)
1.6378746
Log P
1.637908
Molar Refractivity
59.0663
Polarizability
21.822342
Polar Surface Area
38.49
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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