Molecule

ID:76100

General Information
Structure
Molecular Formula
C₁₂H₁₅Cl₂NO₂
Molecular Mass
276.159
Exact Mass
275.04798409
Charge
0
InChI
InChI=1S/C12H14ClNO2.ClH/c1-16-12(15)10-7-14-6-9(10)8-4-2-3-5-11(8)13;/h2-5,9-10,14H,6-7H2,1H3;1H
InChIKey
GPSAQXGZGMSPEQ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1CNCC1c1ccccc1Cl.Cl
Isomeric Smiles
Clc1ccccc1C1C(CNC1)C(=O)OC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.3604529
LogD (pH = 7.4)
-0.4530439
Log P
1.8402865
Molar Refractivity
62.4608
Polarizability
24.815094
Polar Surface Area
38.33
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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