Molecule

ID:31783

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉ClN₂O
Molecular Mass
254.75576
Exact Mass
254.11859092
Charge
0
InChI
InChI=1S/C13H18N2O.ClH/c1-9(14)6-10-8-15(2)13-5-4-11(16-3)7-12(10)13;/h4-5,7-9H,6,14H2,1-3H3;1H
InChIKey
BUWRZIXFMKDSJV-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)c(CC(N)C)cn2C.Cl
Isomeric Smiles
c1(c2c(n(c1)C)ccc(c2)OC)CC(N)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0488882
LogD (pH = 7.4)
-0.4815596
Log P
1.9690173
Molar Refractivity
66.1516
Polarizability
26.833963
Polar Surface Area
40.18
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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