Molecule

ID:47243

General Information
Structure
Molecular Formula
C₁₁H₁₅Cl₂NO
Molecular Mass
248.1489
Exact Mass
247.05306947
Charge
0
InChI
InChI=1S/C11H14ClNO.ClH/c1-8-6-9(2-3-11(8)12)14-10-4-5-13-7-10;/h2-3,6,10,13H,4-5,7H2,1H3;1H
InChIKey
POKXGVMCBOUGAO-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1C)OC1CNCC1.Cl
Isomeric Smiles
c1(c(ccc(c1)OC1CCNC1)Cl)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.71351624
LogD (pH = 7.4)
-0.22549082
Log P
2.516839
Molar Refractivity
57.6582
Polarizability
22.787493
Polar Surface Area
21.26
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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