Molecule

ID:55367

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₂ClN
Molecular Mass
215.76278
Exact Mass
215.14407739
Charge
0
InChI
InChI=1S/C12H21N.ClH/c1-2-11-4-9-3-10(5-11)7-12(13,6-9)8-11;/h9-10H,2-8,13H2,1H3;1H
InChIKey
SLOLBBCVFZRLLS-UHFFFAOYSA-N
Canonic Smiles
CCC12CC3CC(C1)CC(C2)(C3)N.Cl
Isomeric Smiles
C1C2CC3(CC1(CC(C2)C3)CC)N.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.81963396
LogD (pH = 7.4)
-0.63628113
Log P
2.2105634
Molar Refractivity
54.6117
Polarizability
22.19729
Polar Surface Area
26.02
Rotatable Bonds
1
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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