Molecule

ID:47201

General Information
Structure
Molecular Formula
C₁₃H₂₀ClNO
Molecular Mass
241.757
Exact Mass
241.12334195
Charge
0
InChI
InChI=1S/C13H19NO.ClH/c1-10-4-3-5-13(11(10)2)15-12-6-8-14-9-7-12;/h3-5,12,14H,6-9H2,1-2H3;1H
InChIKey
VBWOSYGIVMYQAN-UHFFFAOYSA-N
Canonic Smiles
Cc1c(OC2CCNCC2)cccc1C.Cl
Isomeric Smiles
c1(c(c(ccc1)C)C)OC1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.7212232
LogD (pH = 7.4)
0.12309553
Log P
2.4861755
Molar Refractivity
62.76
Polarizability
24.55863
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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