Molecule

ID:48200

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄Cl₂N₂
Molecular Mass
303.27046
Exact Mass
302.13165414
Charge
0
InChI
InChI=1S/C15H22N2.2ClH/c1-2-6-14-11-17(10-8-13(14)5-1)12-15-7-3-4-9-16-15;;/h1-2,5-6,15-16H,3-4,7-12H2;2*1H
InChIKey
OBUBMLZTGHDWAA-UHFFFAOYSA-N
Canonic Smiles
C1CCC(NC1)CN1CCc2c(C1)cccc2.Cl.Cl
Isomeric Smiles
N1(Cc2c(CC1)cccc2)CC1NCCCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.8285177
LogD (pH = 7.4)
-0.082270965
Log P
2.5002608
Molar Refractivity
72.4469
Polarizability
28.46834
Polar Surface Area
15.27
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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