Molecule

ID:86663

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀Cl₂N₂
Molecular Mass
323.2601
Exact Mass
322.10035401
Charge
0
InChI
InChI=1S/C17H18N2.2ClH/c1-3-7-15-13(5-1)14-6-2-4-8-16(14)17(15)19-11-9-18-10-12-19;;/h1-8,17-18H,9-12H2;2*1H
InChIKey
SUASQIFMVLUTNH-UHFFFAOYSA-N
Canonic Smiles
N1CCN(CC1)C1c2ccccc2c2c1cccc2.Cl.Cl
Isomeric Smiles
N1(C2c3ccccc3c3c2cccc3)CCNCC1.Cl.Cl
Calculated Properties
JChem
Acid pKa
18.201885
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.4777305
LogD (pH = 7.4)
0.8800938
Log P
2.8369339
Molar Refractivity
78.7171
Polarizability
32.234615
Polar Surface Area
15.27
Rotatable Bonds
1
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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