Molecule

ID:20858

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀ClNO
Molecular Mass
241.757
Exact Mass
241.12334195
Charge
0
InChI
InChI=1S/C13H19NO.ClH/c1-10-5-6-13(11(2)8-10)15-12-4-3-7-14-9-12;/h5-6,8,12,14H,3-4,7,9H2,1-2H3;1H
InChIKey
ROCFOXYTBJOBHW-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)C)OC1CCCNC1.Cl
Isomeric Smiles
c1(c(cc(cc1)C)C)OC1CNCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.22840688
LogD (pH = 7.4)
0.8715807
Log P
2.9435785
Molar Refractivity
62.5392
Polarizability
24.558035
Polar Surface Area
21.26
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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