Molecule

ID:46983

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)14-8-13(16)5-6-15(14)18-10-12-4-3-7-17-9-12;/h5-6,8,11-12,17H,3-4,7,9-10H2,1-2H3;1H
InChIKey
MGZMEPMJACSKAF-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)C(C)C)OCC1CCCNC1.Cl
Isomeric Smiles
c1(c(OCC2CNCCC2)ccc(c1)Cl)C(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.58865684
LogD (pH = 7.4)
1.2462441
Log P
3.810544
Molar Refractivity
76.3924
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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