Molecule

ID:13368

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉ClN₂
Molecular Mass
238.75636
Exact Mass
238.1236763
Charge
0
InChI
InChI=1S/C13H19ClN2/c1-16-8-6-12(7-9-16)15-10-11-4-2-3-5-13(11)14/h2-5,12,15H,6-10H2,1H3
InChIKey
AEAANZGNFFGYSV-UHFFFAOYSA-N
Canonic Smiles
CN1CCC(CC1)NCc1ccccc1Cl
Isomeric Smiles
c1ccc(c(c1)CNC1CCN(CC1)C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.5588346
LogD (pH = 7.4)
-0.07776524
Log P
2.1624455
Molar Refractivity
69.5619
Polarizability
27.41214
Polar Surface Area
15.27
Rotatable Bonds
3
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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