Molecule

ID:103109

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅Cl₂NO₂
Molecular Mass
264.1483
Exact Mass
263.04798409
Charge
0
InChI
InChI=1S/C11H14ClNO2.ClH/c1-2-15-11(14)10(13)7-8-3-5-9(12)6-4-8;/h3-6,10H,2,7,13H2,1H3;1H
InChIKey
FDQIKGOQYNZYOO-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(Cc1ccc(cc1)Cl)N.Cl
Isomeric Smiles
Cl.CCOC(=O)C(N)Cc1ccc(Cl)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.72353804
LogD (pH = 7.4)
2.0507002
Log P
2.1843617
Molar Refractivity
59.4388
Polarizability
23.696926
Polar Surface Area
52.32
Rotatable Bonds
5
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
References
Bioactivity
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