Molecule

ID:47974

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄Cl₂N₂
Molecular Mass
303.27046
Exact Mass
302.13165414
Charge
0
InChI
InChI=1S/C15H22N2.2ClH/c1-2-4-15-12-17(10-7-14(15)3-1)11-13-5-8-16-9-6-13;;/h1-4,13,16H,5-12H2;2*1H
InChIKey
NJCWNSFKFCYUNQ-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)CN1CCc2c(C1)cccc2.Cl.Cl
Isomeric Smiles
N1(Cc2c(CC1)cccc2)CC1CCNCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.2554555
LogD (pH = 7.4)
-2.119053
Log P
2.05889
Molar Refractivity
72.8847
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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