Molecule

ID:41903

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇Cl₂NO₂
Molecular Mass
302.19628
Exact Mass
301.06363415
Charge
0
InChI
InChI=1S/C14H17Cl2NO2/c1-19-14(18)11-4-6-17(7-5-11)9-10-2-3-12(15)13(16)8-10/h2-3,8,11H,4-7,9H2,1H3
InChIKey
QXFMEVKESNPQQL-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1CCN(CC1)Cc1ccc(c(c1)Cl)Cl
Isomeric Smiles
C(=O)(C1CCN(Cc2cc(c(cc2)Cl)Cl)CC1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.163642
LogD (pH = 7.4)
3.2706275
Log P
3.3417366
Molar Refractivity
77.3613
Polarizability
30.414612
Polar Surface Area
29.54
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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