Molecule

ID:55292

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈Cl₂N₂O
Molecular Mass
265.17942
Exact Mass
264.07961857
Charge
0
InChI
InChI=1S/C11H16N2O.2ClH/c14-11-3-1-2-10(8-11)9-13-6-4-12-5-7-13;;/h1-3,8,12,14H,4-7,9H2;2*1H
InChIKey
FLUYZYDTVFUGFT-UHFFFAOYSA-N
Canonic Smiles
Oc1cccc(c1)CN1CCNCC1.Cl.Cl
Isomeric Smiles
N1(CCNCC1)Cc1cccc(c1)O.Cl.Cl
Calculated Properties
JChem
Acid pKa
9.641136
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.073094
LogD (pH = 7.4)
-0.73874277
Log P
0.5165156
Molar Refractivity
57.337
Polarizability
22.469582
Polar Surface Area
35.5
Rotatable Bonds
2
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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