Molecule

ID:105413

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄ClNO₂
Molecular Mass
285.80956
Exact Mass
285.14955669
Charge
0
InChI
InChI=1S/C15H23NO2.ClH/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3;/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3;1H/t14-;/m0./s1
InChIKey
RRCPAXJDDNWJBI-UQKRIMTDSA-N
Canonic Smiles
C=CCc1ccccc1OC[C@H](CNC(C)C)O.Cl
Isomeric Smiles
Cl.CC(C)NC[C@H](O)COc1ccccc1CC=C
Calculated Properties
JChem
Acid pKa
14.087952
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.50044185
LogD (pH = 7.4)
0.4675513
Log P
2.6927898
Molar Refractivity
74.6628
Polarizability
29.495447
Polar Surface Area
41.49
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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