Molecule

ID:37146

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃ClN₂O
Molecular Mass
212.67602
Exact Mass
212.07164073
Charge
0
InChI
InChI=1S/C10H13ClN2O/c11-10-2-1-9(7-12-10)8-13-3-5-14-6-4-13/h1-2,7H,3-6,8H2
InChIKey
SGGCJTJHZSXKJT-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cn1)CN1CCOCC1
Isomeric Smiles
n1c(Cl)ccc(CN2CCOCC2)c1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.0355057
LogD (pH = 7.4)
1.2980673
Log P
1.3026916
Molar Refractivity
57.3844
Polarizability
22.061195
Polar Surface Area
25.36
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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