Molecule

ID:16720

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀Cl₂N₂O
Molecular Mass
303.2274
Exact Mass
302.09526863
Charge
0
InChI
InChI=1S/C14H19ClN2O.ClH/c15-10-14(18)16-13-6-4-12(5-7-13)11-17-8-2-1-3-9-17;/h4-7H,1-3,8-11H2,(H,16,18);1H
InChIKey
GAERDZOPWSPGPS-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)Nc1ccc(cc1)CN1CCCCC1.Cl
Isomeric Smiles
c1(CN2CCCCC2)ccc(cc1)NC(=O)CCl.Cl
Calculated Properties
JChem
Acid pKa
13.466139
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.69033635
LogD (pH = 7.4)
0.8735567
Log P
2.540063
Molar Refractivity
76.3589
Polarizability
28.86819
Polar Surface Area
32.34
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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