Molecule

ID:35319

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₁ClN₂
Molecular Mass
228.76154
Exact Mass
228.13932636
Charge
0
InChI
InChI=1S/C12H20N2.ClH/c1-10-3-4-11(2)14(10)9-12-5-7-13-8-6-12;/h3-4,12-13H,5-9H2,1-2H3;1H
InChIKey
YZDWUSLFOAQRFA-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(n1CC1CCNCC1)C.Cl
Isomeric Smiles
n1(c(ccc1C)C)CC1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.451186
LogD (pH = 7.4)
-0.99180776
Log P
1.7802876
Molar Refractivity
60.9873
Polarizability
23.349531
Polar Surface Area
16.96
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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