Molecule

ID:13329

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃ClN₂O
Molecular Mass
212.67602
Exact Mass
212.07164073
Charge
0
InChI
InChI=1S/C10H13ClN2O/c11-8-1-2-10(9(12)7-8)13-3-5-14-6-4-13/h1-2,7H,3-6,12H2
InChIKey
UNDBLGNMBLCRNJ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)N)N1CCOCC1
Isomeric Smiles
c1(ccc(c(c1)N)N1CCOCC1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.6360779
LogD (pH = 7.4)
1.6378849
Log P
1.637908
Molar Refractivity
59.0663
Polarizability
21.807104
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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