Molecule

ID:19654

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇ClN₂O₂
Molecular Mass
256.72858
Exact Mass
256.09785547
Charge
0
InChI
InChI=1S/C12H17ClN2O2/c13-10-1-2-12(11(14)9-10)17-8-5-15-3-6-16-7-4-15/h1-2,9H,3-8,14H2
InChIKey
YZBCJLXUCANOTN-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)N)OCCN1CCOCC1
Isomeric Smiles
c1(cc(ccc1OCCN1CCOCC1)Cl)N
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.3460103
LogD (pH = 7.4)
1.338896
Log P
1.3908373
Molar Refractivity
69.12
Polarizability
26.56267
Polar Surface Area
47.72
Rotatable Bonds
4
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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