Molecule

ID:38212

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂Cl₂N₂O
Molecular Mass
305.24328
Exact Mass
304.11091869
Charge
0
InChI
InChI=1S/C14H20N2O.2ClH/c17-14(13-4-2-1-3-5-13)16-11-8-12-6-9-15-10-7-12;;/h1-5,12,15H,6-11H2,(H,16,17);2*1H
InChIKey
JKQKBKCVCFOTPL-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)NCCC1CCNCC1.Cl.Cl
Isomeric Smiles
C(=O)(c1ccccc1)NCCC1CCNCC1.Cl.Cl
Calculated Properties
JChem
Acid pKa
15.008938
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.7130513
LogD (pH = 7.4)
-1.2566928
Log P
1.5185361
Molar Refractivity
69.6855
Polarizability
26.85277
Polar Surface Area
41.13
Rotatable Bonds
4
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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