Molecule

ID:47017

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃Cl₂NO
Molecular Mass
304.25522
Exact Mass
303.11566972
Charge
0
InChI
InChI=1S/C15H22ClNO.ClH/c1-3-11(2)14-10-12(16)4-5-15(14)18-13-6-8-17-9-7-13;/h4-5,10-11,13,17H,3,6-9H2,1-2H3;1H
InChIKey
FXYMZRXKJKZGKF-UHFFFAOYSA-N
Canonic Smiles
CCC(c1cc(Cl)ccc1OC1CCNCC1)C.Cl
Isomeric Smiles
c1(c(cc(cc1)Cl)C(CC)C)OC1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.54555655
LogD (pH = 7.4)
1.3898753
Log P
3.7529552
Molar Refractivity
76.2742
Polarizability
30.153742
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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