Molecule

ID:21791

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₂ClN
Molecular Mass
215.76278
Exact Mass
215.14407739
Charge
0
InChI
InChI=1S/C12H21N.ClH/c1-2-4-11(5-3-1)8-9-13-10-12-6-7-12;/h4,12-13H,1-3,5-10H2;1H
InChIKey
KFUKVIGBXKOZGH-UHFFFAOYSA-N
Canonic Smiles
C1CCC(=CC1)CCNCC1CC1.Cl
Isomeric Smiles
C1CC1CNCCC1=CCCCC1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.5742333
LogD (pH = 7.4)
-0.30555308
Log P
2.6630175
Molar Refractivity
57.9084
Polarizability
22.705225
Polar Surface Area
12.03
Rotatable Bonds
5
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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