Molecule

ID:55374

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₂ClN
Molecular Mass
215.76278
Exact Mass
215.14407739
Charge
0
InChI
InChI=1S/C12H21N.ClH/c13-2-1-12-10-4-8-3-9(6-10)7-11(12)5-8;/h8-12H,1-7,13H2;1H
InChIKey
ZWTHERUIYKYPCR-UHFFFAOYSA-N
Canonic Smiles
NCCC1C2CC3CC1CC(C2)C3.Cl
Isomeric Smiles
C1C2CC3C(C1CC(C2)C3)CCN.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.94773954
LogD (pH = 7.4)
-0.5226155
Log P
2.0760639
Molar Refractivity
54.9318
Polarizability
22.19729
Polar Surface Area
26.02
Rotatable Bonds
2
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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