Molecule

ID:46234

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₅Cl₂NO
Molecular Mass
318.2818
Exact Mass
317.13131979
Charge
0
InChI
InChI=1S/C16H24ClNO.ClH/c1-4-16(2,3)13-5-6-15(14(17)9-13)19-11-12-7-8-18-10-12;/h5-6,9,12,18H,4,7-8,10-11H2,1-3H3;1H
InChIKey
QZGALVRUHAPDIL-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccc(c(c1)Cl)OCC1CNCC1)(C)C.Cl
Isomeric Smiles
c1(cc(c(OCC2CNCC2)cc1)Cl)C(CC)(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.87101805
LogD (pH = 7.4)
1.029628
Log P
4.110591
Molar Refractivity
80.8675
Polarizability
32.02175
Polar Surface Area
21.26
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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