Molecule

ID:46757

General Information
Structure
Molecular Formula
C₂₀H₂₅Cl₂NO
Molecular Mass
366.3246
Exact Mass
365.13131979
Charge
0
InChI
InChI=1S/C20H24ClNO.ClH/c21-18-9-10-20(23-13-11-19-8-4-5-12-22-19)17(15-18)14-16-6-2-1-3-7-16;/h1-3,6-7,9-10,15,19,22H,4-5,8,11-14H2;1H
InChIKey
BAYOXXLPZOFBRI-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cc1ccccc1)OCCC1CCCCN1.Cl
Isomeric Smiles
c1(c(ccc(c1)Cl)OCCC1NCCCC1)Cc1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.8915681
LogD (pH = 7.4)
2.4844706
Log P
5.1171026
Molar Refractivity
96.4652
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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