Molecule

ID:46984

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃Cl₂NO
Molecular Mass
304.25522
Exact Mass
303.11566972
Charge
0
InChI
InChI=1S/C15H22ClNO.ClH/c1-11(2)14-9-13(16)3-4-15(14)18-10-12-5-7-17-8-6-12;/h3-4,9,11-12,17H,5-8,10H2,1-2H3;1H
InChIKey
SQYBPNGVLUCVPD-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)C(C)C)OCC1CCNCC1.Cl
Isomeric Smiles
c1(c(OCC2CCNCC2)ccc(c1)Cl)C(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.5375664
LogD (pH = 7.4)
0.9983372
Log P
3.7689874
Molar Refractivity
76.4912
Polarizability
30.153986
Polar Surface Area
21.26
Rotatable Bonds
4
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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