Molecule

ID:20335

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀ClNO
Molecular Mass
229.7463
Exact Mass
229.12334195
Charge
0
InChI
InChI=1S/C12H19NO.ClH/c1-9(2)6-7-14-12-5-4-11(13)8-10(12)3;/h4-5,8-9H,6-7,13H2,1-3H3;1H
InChIKey
DXMYKYXHJILTDO-UHFFFAOYSA-N
Canonic Smiles
CC(CCOc1ccc(cc1C)N)C.Cl
Isomeric Smiles
c1(c(ccc(c1)N)OCCC(C)C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.8454752
LogD (pH = 7.4)
3.106382
Log P
3.1109881
Molar Refractivity
60.685
Polarizability
23.13148
Polar Surface Area
35.25
Rotatable Bonds
4
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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