Molecule

ID:131743

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₅Cl₃N₂
Molecular Mass
387.7742
Exact Mass
386.10833185
Charge
0
InChI
InChI=1S/C19H23ClN2.2ClH/c1-21-12-5-13-22(15-14-21)19(16-6-3-2-4-7-16)17-8-10-18(20)11-9-17;;/h2-4,6-11,19H,5,12-15H2,1H3;2*1H
InChIKey
JLVFQWFTNVMTEG-UHFFFAOYSA-N
Canonic Smiles
CN1CCCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1.Cl.Cl
Isomeric Smiles
CN1CCCN(CC1)C(c1ccccc1)c1ccc(cc1)Cl.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.9544646
LogD (pH = 7.4)
2.6017764
Log P
4.2100067
Molar Refractivity
94.6038
Polarizability
37.026394
Polar Surface Area
6.48
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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