Molecule

ID:60228

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁ClN₂O₂
Molecular Mass
296.79244
Exact Mass
296.1291556
Charge
0
InChI
InChI=1S/C15H21ClN2O2/c16-14-3-1-13(2-4-14)15(17-5-9-19-10-6-17)18-7-11-20-12-8-18/h1-4,15H,5-12H2
InChIKey
DAAKLUBLMJLRRF-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)C(N1CCOCC1)N1CCOCC1
Isomeric Smiles
C(N1CCOCC1)(N1CCOCC1)c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.3656557
LogD (pH = 7.4)
2.4253917
Log P
2.426209
Molar Refractivity
80.3112
Polarizability
31.74234
Polar Surface Area
24.94
Rotatable Bonds
3
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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