Molecule

ID:20837

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇Cl₂NO
Molecular Mass
262.17548
Exact Mass
261.06871953
Charge
0
InChI
InChI=1S/C12H16ClNO.ClH/c13-11-4-1-3-10(7-11)9-15-12-5-2-6-14-8-12;/h1,3-4,7,12,14H,2,5-6,8-9H2;1H
InChIKey
PBFIEAJKIOACMD-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)COC1CCCNC1.Cl
Isomeric Smiles
N1CC(OCc2cc(Cl)ccc2)CCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.6361372
LogD (pH = 7.4)
0.35265556
Log P
2.5542283
Molar Refractivity
62.3655
Polarizability
24.721756
Polar Surface Area
21.26
Rotatable Bonds
3
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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