Molecule

ID:60131

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀ClN
Molecular Mass
213.7469
Exact Mass
213.12842733
Charge
0
InChI
InChI=1S/C12H20ClN/c1-14(2)12-6-9-3-10(7-12)5-11(13,4-9)8-12/h9-10H,3-8H2,1-2H3
InChIKey
PXWWJPYCWJIXCB-UHFFFAOYSA-N
Canonic Smiles
CN(C12CC3CC(C1)CC(C2)(C3)Cl)C
Isomeric Smiles
C1C2CC3(CC1CC(C2)(C3)Cl)N(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-1.1854577
LogD (pH = 7.4)
-0.09611313
Log P
2.2481666
Molar Refractivity
60.2944
Polarizability
23.987164
Polar Surface Area
3.24
Rotatable Bonds
1
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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