Molecule

ID:85230

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀Cl₂N₂O
Molecular Mass
303.2274
Exact Mass
302.09526863
Charge
0
InChI
InChI=1S/C14H19ClN2O.ClH/c1-12(15)14(18)17-9-7-16(8-10-17)11-13-5-3-2-4-6-13;/h2-6,12H,7-11H2,1H3;1H
InChIKey
PIMORPUGXSSTHL-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)N1CCN(CC1)Cc1ccccc1)Cl.Cl
Isomeric Smiles
N1(C(=O)C(Cl)C)CCN(CC1)Cc1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1619916
LogD (pH = 7.4)
2.0551624
Log P
2.0947645
Molar Refractivity
74.1691
Polarizability
28.88288
Polar Surface Area
23.55
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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