Molecule

ID:124508

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅Cl₃N₂O
Molecular Mass
297.6086
Exact Mass
296.02499615
Charge
0
InChI
InChI=1S/C11H13ClN2O.2ClH/c12-10-3-1-2-9(8-10)11(15)14-6-4-13-5-7-14;;/h1-3,8,13H,4-7H2;2*1H
InChIKey
NDKXXMYXDGOKEM-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)C(=O)N1CCNCC1.Cl.Cl
Isomeric Smiles
C(=O)(N1CCNCC1)c1cc(Cl)ccc1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.9346568
LogD (pH = 7.4)
0.77923346
Log P
1.3393545
Molar Refractivity
60.49
Polarizability
23.199827
Polar Surface Area
32.34
Rotatable Bonds
1
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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