Molecule

ID:51298

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆ClNO
Molecular Mass
225.71454
Exact Mass
225.09204182
Charge
0
InChI
InChI=1S/C12H15NO.ClH/c1-2-4-11-10(3-1)9-14-12(11)5-7-13-8-6-12;/h1-4,13H,5-9H2;1H
InChIKey
SFQFBDOOIIHNMY-UHFFFAOYSA-N
Canonic Smiles
N1CCC2(CC1)OCc1c2cccc1.Cl
Isomeric Smiles
C12(OCc3c1cccc3)CCNCC2.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.026749
LogD (pH = 7.4)
-1.068532
Log P
1.1677767
Molar Refractivity
56.2257
Polarizability
22.137045
Polar Surface Area
21.26
Rotatable Bonds
0
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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