Molecule

ID:46690

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇Cl₂NO
Molecular Mass
298.20758
Exact Mass
297.06871953
Charge
0
InChI
InChI=1S/C15H16ClNO.ClH/c16-14-5-6-15(13-4-2-1-3-12(13)14)18-10-11-7-8-17-9-11;/h1-6,11,17H,7-10H2;1H
InChIKey
GYVQPZQTUJZWNT-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c2c1cccc2)OCC1CNCC1.Cl
Isomeric Smiles
c12c(c(ccc1OCC1CNCC1)Cl)cccc2.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.12913011
LogD (pH = 7.4)
0.029479837
Log P
3.1104429
Molar Refractivity
74.0508
Polarizability
30.407536
Polar Surface Area
21.26
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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