Molecule

ID:46687

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₁Cl₂NO
Molecular Mass
326.26074
Exact Mass
325.10001966
Charge
0
InChI
InChI=1S/C17H20ClNO.ClH/c18-16-5-6-17(15-4-2-1-3-14(15)16)20-12-9-13-7-10-19-11-8-13;/h1-6,13,19H,7-12H2;1H
InChIKey
RASVFLDCSQNXQX-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c2c1cccc2)OCCC1CCNCC1.Cl
Isomeric Smiles
c12c(c(ccc1Cl)OCCC1CCNCC1)cccc2.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.6484841
LogD (pH = 7.4)
1.1048741
Log P
3.88007
Molar Refractivity
83.4286
Polarizability
34.099857
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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