Molecule

ID:78627

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀Cl₂N₂O
Molecular Mass
303.2274
Exact Mass
302.09526863
Charge
0
InChI
InChI=1S/C14H20Cl2N2O/c15-13-3-2-12(14(16)10-13)11-18-5-1-4-17(6-7-18)8-9-19/h2-3,10,19H,1,4-9,11H2
InChIKey
OUNVQIRIRNXYNC-UHFFFAOYSA-N
Canonic Smiles
OCCN1CCCN(CC1)Cc1ccc(cc1Cl)Cl
Isomeric Smiles
N1(Cc2ccc(cc2Cl)Cl)CCN(CCO)CCC1
Calculated Properties
JChem
Acid pKa
15.593175
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.76593226
LogD (pH = 7.4)
0.90890276
Log P
2.3397093
Molar Refractivity
81.4181
Polarizability
31.744986
Polar Surface Area
26.71
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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