Molecule

ID:103481

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇ClN₂O₂
Molecular Mass
244.71788
Exact Mass
244.09785547
Charge
0
InChI
InChI=1S/C11H16N2O2.ClH/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2;/h5,7-8,10H,3-4,6H2,1-2H3;1H
InChIKey
RNAICSBVACLLGM-UHFFFAOYSA-N
Canonic Smiles
CCC1C(=O)OCC1Cc1cncn1C.Cl
Isomeric Smiles
Cl.CCC1C(COC1=O)Cc1cncn1C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.44190395
LogD (pH = 7.4)
0.9023369
Log P
0.94975144
Molar Refractivity
56.5342
Polarizability
21.845087
Polar Surface Area
44.12
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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