Molecule

ID:45594

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄Cl₂N₂O₂
Molecular Mass
277.14706
Exact Mass
276.04323306
Charge
0
InChI
InChI=1S/C11H13ClN2O2.ClH/c12-8-1-6-14-10(7-8)11(15)16-9-2-4-13-5-3-9;/h1,6-7,9,13H,2-5H2;1H
InChIKey
VYZHTNVUFKWJDS-UHFFFAOYSA-N
Canonic Smiles
O=C(c1nccc(c1)Cl)OC1CCNCC1.Cl
Isomeric Smiles
C(=O)(c1cc(ccn1)Cl)OC1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.0271628
LogD (pH = 7.4)
-1.3374207
Log P
1.1927035
Molar Refractivity
60.5156
Polarizability
23.934002
Polar Surface Area
51.22
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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