Molecule

ID:46386

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇Cl₂NO
Molecular Mass
262.17548
Exact Mass
261.06871953
Charge
0
InChI
InChI=1S/C12H16ClNO.ClH/c13-12-3-1-2-10(6-12)8-15-9-11-4-5-14-7-11;/h1-3,6,11,14H,4-5,7-9H2;1H
InChIKey
YFOUBPODVKWAPI-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)COCC1CNCC1.Cl
Isomeric Smiles
N1CC(COCc2cc(Cl)ccc2)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0860636
LogD (pH = 7.4)
-0.97945166
Log P
2.1544142
Molar Refractivity
62.7045
Polarizability
24.721758
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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