Molecule

ID:45601

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄Cl₂N₂O₂
Molecular Mass
277.14706
Exact Mass
276.04323306
Charge
0
InChI
InChI=1S/C11H13ClN2O2.ClH/c12-9-2-4-14-10(5-9)11(15)16-7-8-1-3-13-6-8;/h2,4-5,8,13H,1,3,6-7H2;1H
InChIKey
JXRQUOPRJYKYDX-UHFFFAOYSA-N
Canonic Smiles
Clc1ccnc(c1)C(=O)OCC1CNCC1.Cl
Isomeric Smiles
C(=O)(c1cc(ccn1)Cl)OCC1CNCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.9902009
LogD (pH = 7.4)
-1.8833805
Log P
1.2502923
Molar Refractivity
60.6338
Polarizability
23.934025
Polar Surface Area
51.22
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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