Molecule

ID:46688

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₁Cl₂NO
Molecular Mass
326.26074
Exact Mass
325.10001966
Charge
0
InChI
InChI=1S/C17H20ClNO.ClH/c18-16-7-8-17(15-6-2-1-5-14(15)16)20-11-9-13-4-3-10-19-12-13;/h1-2,5-8,13,19H,3-4,9-12H2;1H
InChIKey
NZQVGNMDXHLVIJ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c2c1cccc2)OCCC1CCCNC1.Cl
Isomeric Smiles
c12c(c(ccc1Cl)OCCC1CNCCC1)cccc2.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.7237014
LogD (pH = 7.4)
1.0997515
Log P
3.9580235
Molar Refractivity
83.3516
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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