Molecule

ID:45256

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀ClNO
Molecular Mass
229.7463
Exact Mass
229.12334195
Charge
0
InChI
InChI=1S/C12H19NO.ClH/c1-3-9-14-11-7-5-10(6-8-11)12(13)4-2;/h5-8,12H,3-4,9,13H2,1-2H3;1H
InChIKey
GKMHJNUABIDYHV-UHFFFAOYSA-N
Canonic Smiles
CCCOc1ccc(cc1)C(CC)N.Cl
Isomeric Smiles
c1(ccc(cc1)OCCC)C(N)CC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.24851507
LogD (pH = 7.4)
0.47901723
Log P
2.7597709
Molar Refractivity
59.21
Polarizability
23.6049
Polar Surface Area
35.25
Rotatable Bonds
5
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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