Molecule

ID:46756

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₅Cl₂NO
Molecular Mass
366.3246
Exact Mass
365.13131979
Charge
0
InChI
InChI=1S/C20H24ClNO.ClH/c21-19-8-9-20(23-12-10-17-7-4-11-22-15-17)18(14-19)13-16-5-2-1-3-6-16;/h1-3,5-6,8-9,14,17,22H,4,7,10-13,15H2;1H
InChIKey
SHTOGMRRTOGECW-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cc1ccccc1)OCCC1CCCNC1.Cl
Isomeric Smiles
c1(c(ccc(c1)Cl)OCCC1CNCCC1)Cc1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.8260187
LogD (pH = 7.4)
2.2020688
Log P
5.060341
Molar Refractivity
96.6386
Polarizability
37.92188
Polar Surface Area
21.26
Rotatable Bonds
6
Lipinski's Rule of Five
false
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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